45

Oxal_NH2

<table><tr><td>H</td><td>0.00000000</td><td>0.00000000</td><td>0.00000000</td></tr><tr><td>N</td><td>0.00000000</td><td>0.00000000</td><td>1.01040527</td></tr><tr><td>C</td><td>1.10039246</td><td>0.00000000</td><td>1.84477701</td></tr><tr><td>H</td><td>2.10595795</td><td>0.01230842</td><td>1.45033002</td></tr><tr><td>N</td><td>0.79560874</td><td>-0.01721255</td><td>3.11711211</td></tr><tr><td>C</td><td>-0.58035425</td><td>-0.02814624</td><td>3.12806645</td></tr><tr><td>C</td><td>-1.52651158</td><td>-0.06471788</td><td>4.14027475</td></tr><tr><td>N</td><td>-2.82505207</td><td>-0.07683508</td><td>3.86150310</td></tr><tr><td>C</td><td>-3.19228972</td><td>-0.07259962</td><td>2.56181189</td></tr><tr><td>N</td><td>-2.39300308</td><td>-0.04416342</td><td>1.49777529</td></tr><tr><td>C</td><td>-1.10604271</td><td>-0.02012394</td><td>1.81762008</td></tr><tr><td>O</td><td>0.10628893</td><td>1.02709777</td><td>7.64461776</td></tr><tr><td>O</td><td>-1.57262449</td><td>1.06418593</td><td>10.06138658</td></tr><tr><td>C</td><td>0.48328087</td><td>0.52781713</td><td>8.77984417</td></tr><tr><td>C</td><td>-0.46970895</td><td>0.56508056</td><td>10.02446703</td></tr><tr><td>O</td><td>1.57408771</td><td>0.02463337</td><td>8.97838365</td></tr><tr><td>O</td><td>0.08540733</td><td>-0.02157902</td><td>11.06466156</td></tr><tr><td>N</td><td>-1.13293309</td><td>-0.10888829</td><td>5.52750137</td></tr><tr><td>H</td><td>-4.25845246</td><td>-0.09770207</td><td>2.36808724</td></tr><tr><td>H</td><td>-1.49772690</td><td>-0.96445132</td><td>5.95064215</td></tr><tr><td>H</td><td>-0.11092995</td><td>-0.13861186</td><td>5.60368548</td></tr><tr><td>H</td><td>0.97363875</td><td>-0.31217360</td><td>10.76401819</td></tr><tr><td>C</td><td>-4.43183113</td><td>2.51242647</td><td>7.02696666</td></tr><tr><td>C</td><td>-5.73181513</td><td>3.11126645</td><td>6.48982854</td></tr><tr><td>C</td><td>-6.53080006</td><td>3.75291764</td><td>7.63915965</td></tr><tr><td>C</td><td>-5.69518070</td><td>4.78413424</td><td>8.41125115</td></tr><tr><td>C</td><td>-4.37077212</td><td>4.18704370</td><td>8.91944800</td></tr><tr><td>C</td><td>-3.59325958</td><td>3.56363639</td><td>7.75886853</td></tr><tr><td>H</td><td>-7.43096422</td><td>4.22261634</td><td>7.23674758</td></tr><tr><td>H</td><td>-5.49814746</td><td>3.87064099</td><td>5.73220793</td></tr><tr><td>H</td><td>-6.32585140</td><td>2.33648280</td><td>5.99630637</td></tr><tr><td>H</td><td>-4.65976269</td><td>1.69850958</td><td>7.72221657</td></tr><tr><td>H</td><td>-5.48109829</td><td>5.64259331</td><td>7.76379593</td></tr><tr><td>H</td><td>-6.26632158</td><td>5.17150102</td><td>9.25770024</td></tr><tr><td>H</td><td>-4.57129632</td><td>3.41593906</td><td>9.67296400</td></tr><tr><td>H</td><td>-3.32737612</td><td>4.34705118</td><td>7.03913594</td></tr><tr><td>H</td><td>-6.87043668</td><td>2.96749710</td><td>8.32396813</td></tr><tr><td>N</td><td>-2.30320036</td><td>2.92024099</td><td>8.16893200</td></tr><tr><td>H</td><td>-1.57458898</td><td>3.62306462</td><td>8.28569632</td></tr><tr><td>H</td><td>-2.36320882</td><td>2.41337280</td><td>9.06334695</td></tr><tr><td>Pt</td><td>-1.72061641</td><td>1.45049883</td><td>6.83265664</td></tr><tr><td>N</td><td>-3.54872951</td><td>1.91105941</td><td>5.97207169</td></tr><tr><td>H</td><td>-3.95476515</td><td>1.08075542</td><td>5.53388470</td></tr><tr><td>H</td><td>-3.41528002</td><td>2.58083143</td><td>5.21235543</td></tr><tr><td>H</td><td>-3.76410684</td><td>4.95713020</td><td>9.40428417</td></tr></table>
45

Oxal_2ndS-1

<table><tr><td>N</td><td>0.00000000</td><td>0.00000000</td><td>0.00000000</td></tr><tr><td>C</td><td>0.00000000</td><td>0.00000000</td><td>1.38058522</td></tr><tr><td>H</td><td>0.91859328</td><td>0.00000000</td><td>1.94757675</td></tr><tr><td>N</td><td>-1.20471439</td><td>-0.00025055</td><td>1.89212646</td></tr><tr><td>C</td><td>-2.03328889</td><td>-0.00012078</td><td>0.79649313</td></tr><tr><td>C</td><td>-3.44064694</td><td>0.00005937</td><td>0.70970787</td></tr><tr><td>N</td><td>-4.26167295</td><td>-0.00020254</td><td>1.74642852</td></tr><tr><td>H</td><td>-5.27602820</td><td>0.00228150</td><td>1.61734414</td></tr><tr><td>H</td><td>-3.85760471</td><td>0.00029533</td><td>2.67072329</td></tr><tr><td>N</td><td>-3.91654279</td><td>0.00017722</td><td>-0.57109082</td></tr><tr><td>C</td><td>-3.10516934</td><td>0.00024810</td><td>-1.67423138</td></tr><tr><td>H</td><td>-3.63688406</td><td>0.00027528</td><td>-2.61761225</td></tr><tr><td>N</td><td>-1.80238611</td><td>0.00022596</td><td>-1.64985166</td></tr><tr><td>C</td><td>-1.30755437</td><td>0.00004462</td><td>-0.39513080</td></tr><tr><td>H</td><td>0.80258764</td><td>0.00008374</td><td>-0.61345487</td></tr><tr><td>O</td><td>-9.08395123</td><td>0.00790336</td><td>0.38261780</td></tr><tr><td>O</td><td>-8.49737943</td><td>-0.00142136</td><td>-2.22789524</td></tr><tr><td>C</td><td>-7.81789107</td><td>0.00755233</td><td>0.09572622</td></tr><tr><td>C</td><td>-7.47876896</td><td>0.00010679</td><td>-1.42710097</td></tr><tr><td>O</td><td>-6.92099655</td><td>0.01231485</td><td>0.92063747</td></tr><tr><td>O</td><td>-6.31323908</td><td>-0.00341927</td><td>-1.79602099</td></tr><tr><td>H</td><td>-4.94157744</td><td>-0.00011471</td><td>-0.77349309</td></tr><tr><td>C</td><td>-12.92013337</td><td>-0.33766103</td><td>-2.54799813</td></tr><tr><td>C</td><td>-13.96641752</td><td>0.02387636</td><td>-3.60419174</td></tr><tr><td>C</td><td>-15.37926000</td><td>-0.32462260</td><td>-3.10432195</td></tr><tr><td>C</td><td>-15.68157364</td><td>0.33169350</td><td>-1.75009158</td></tr><tr><td>C</td><td>-14.61381787</td><td>-0.01440375</td><td>-0.69761269</td></tr><tr><td>C</td><td>-13.21852311</td><td>0.34802880</td><td>-1.21011200</td></tr><tr><td>H</td><td>-16.11533535</td><td>-0.01124255</td><td>-3.84788269</td></tr><tr><td>H</td><td>-13.90556018</td><td>1.09854026</td><td>-3.81967712</td></tr><tr><td>H</td><td>-13.74966329</td><td>-0.50254503</td><td>-4.53832179</td></tr><tr><td>H</td><td>-12.92068733</td><td>-1.42139699</td><td>-2.38902930</td></tr><tr><td>H</td><td>-15.73077524</td><td>1.42006115</td><td>-1.87122413</td></tr><tr><td>H</td><td>-16.66304192</td><td>0.01664478</td><td>-1.38905752</td></tr><tr><td>H</td><td>-14.64891584</td><td>-1.08889486</td><td>-0.47560950</td></tr><tr><td>H</td><td>-13.15186427</td><td>1.43178785</td><td>-1.35426202</td></tr><tr><td>H</td><td>-15.47318063</td><td>-1.41313313</td><td>-3.01510488</td></tr><tr><td>N</td><td>-12.11113688</td><td>-0.00172769</td><td>-0.25753052</td></tr><tr><td>H</td><td>-12.09384659</td><td>0.65004374</td><td>0.52616479</td></tr><tr><td>H</td><td>-12.27108797</td><td>-0.92653138</td><td>0.14459642</td></tr><tr><td>Pt</td><td>-10.28310278</td><td>0.00393187</td><td>-1.25687974</td></tr><tr><td>N</td><td>-11.51306477</td><td>0.01234998</td><td>-2.94014084</td></tr><tr><td>H</td><td>-11.16525758</td><td>-0.63865611</td><td>-3.64329189</td></tr><tr><td>H</td><td>-11.48698337</td><td>0.93769993</td><td>-3.37087664</td></tr><tr><td>H</td><td>-14.81464154</td><td>0.51266180</td><td>0.23971345</td></tr></table>
45

Oxal_2ndS-2

<table><tr><td>N</td><td>0.00000000</td><td>0.00000000</td><td>0.00000000</td></tr><tr><td>C</td><td>0.00000000</td><td>0.00000000</td><td>1.38328428</td></tr><tr><td>H</td><td>0.92317676</td><td>0.00000000</td><td>1.94239333</td></tr><tr><td>N</td><td>-1.20077845</td><td>0.00009831</td><td>1.90205466</td></tr><tr><td>C</td><td>-2.04235855</td><td>0.00002653</td><td>0.81237783</td></tr><tr><td>C</td><td>-3.45017945</td><td>-0.00007669</td><td>0.70437570</td></tr><tr><td>N</td><td>-4.25321660</td><td>-0.00018955</td><td>1.76699692</td></tr><tr><td>H</td><td>-5.25258084</td><td>-0.00028742</td><td>1.63360910</td></tr><tr><td>H</td><td>-3.86473760</td><td>-0.00018922</td><td>2.69727859</td></tr><tr><td>N</td><td>-4.01626499</td><td>-0.00006386</td><td>-0.53208651</td></tr><tr><td>C</td><td>-3.24822420</td><td>0.00001033</td><td>-1.59278909</td></tr><tr><td>H</td><td>-3.70590214</td><td>0.00002012</td><td>-2.57496974</td></tr><tr><td>N</td><td>-1.89520537</td><td>0.00003824</td><td>-1.58565543</td></tr><tr><td>C</td><td>-1.30287930</td><td>-0.00001026</td><td>-0.36695396</td></tr><tr><td>H</td><td>0.78029139</td><td>-0.00034550</td><td>-0.65859870</td></tr><tr><td>O</td><td>2.48599780</td><td>-0.00460059</td><td>-4.25336475</td></tr><tr><td>O</td><td>0.35686766</td><td>-0.00780769</td><td>-5.87746109</td></tr><tr><td>C</td><td>1.33173942</td><td>-0.00388289</td><td>-3.66229150</td></tr><tr><td>C</td><td>0.09185452</td><td>-0.00416582</td><td>-4.60936440</td></tr><tr><td>O</td><td>1.16428329</td><td>-0.00305331</td><td>-2.45434909</td></tr><tr><td>O</td><td>-1.03777667</td><td>-0.00110237</td><td>-4.14147824</td></tr><tr><td>H</td><td>-1.37431157</td><td>0.00010494</td><td>-2.49677144</td></tr><tr><td>C</td><td>3.52569286</td><td>0.32289041</td><td>-8.97365005</td></tr><tr><td>C</td><td>3.64107535</td><td>-0.04752110</td><td>-10.45363597</td></tr><tr><td>C</td><td>5.04148496</td><td>0.29968055</td><td>-10.98836154</td></tr><tr><td>C</td><td>6.14899562</td><td>-0.34889733</td><td>-10.14637986</td></tr><tr><td>C</td><td>6.01473366</td><td>0.00727666</td><td>-8.65553757</td></tr><tr><td>C</td><td>4.61986194</td><td>-0.35545876</td><td>-8.14204524</td></tr><tr><td>H</td><td>5.12256420</td><td>-0.02092142</td><td>-12.02926518</td></tr><tr><td>H</td><td>3.45687085</td><td>-1.12319869</td><td>-10.57194791</td></tr><tr><td>H</td><td>2.87088020</td><td>0.47424638</td><td>-11.02915672</td></tr><tr><td>H</td><td>3.62635483</td><td>1.40754679</td><td>-8.85918924</td></tr><tr><td>H</td><td>6.11014910</td><td>-1.43816182</td><td>-10.26301219</td></tr><tr><td>H</td><td>7.13048853</td><td>-0.03459073</td><td>-10.50796270</td></tr><tr><td>H</td><td>6.18227797</td><td>1.08318564</td><td>-8.51636946</td></tr><tr><td>H</td><td>4.47847638</td><td>-1.43989784</td><td>-8.20292741</td></tr><tr><td>H</td><td>5.16901974</td><td>1.38842168</td><td>-10.98877747</td></tr><tr><td>N</td><td>4.38985508</td><td>0.00154199</td><td>-6.70085386</td></tr><tr><td>H</td><td>4.88671186</td><td>-0.64500934</td><td>-6.08902653</td></tr><tr><td>H</td><td>4.76854014</td><td>0.92895939</td><td>-6.50322315</td></tr><tr><td>Pt</td><td>2.34855348</td><td>-0.00951859</td><td>-6.28285408</td></tr><tr><td>N</td><td>2.19964850</td><td>-0.02681081</td><td>-8.36063766</td></tr><tr><td>H</td><td>1.47805001</td><td>0.62137652</td><td>-8.67453072</td></tr><tr><td>H</td><td>1.90274665</td><td>-0.95407470</td><td>-8.66833780</td></tr><tr><td>H</td><td>6.77545526</td><td>-0.51394197</td><td>-8.06701792</td></tr></table>
45

Oxal_2ndS-3

<table><tr><td>N</td><td>0.00000000</td><td>0.00000000</td><td>0.00000000</td></tr><tr><td>C</td><td>0.00000000</td><td>0.00000000</td><td>1.34651642</td></tr><tr><td>H</td><td>0.86384519</td><td>0.00000000</td><td>1.99052463</td></tr><tr><td>N</td><td>-1.24720857</td><td>0.00008202</td><td>1.78391664</td></tr><tr><td>C</td><td>-2.10482471</td><td>0.00034080</td><td>0.69607455</td></tr><tr><td>C</td><td>-3.51095900</td><td>0.00096553</td><td>0.52263272</td></tr><tr><td>N</td><td>-4.38932966</td><td>0.00130609</td><td>1.53316651</td></tr><tr><td>H</td><td>-5.36930731</td><td>0.00174074</td><td>1.29716354</td></tr><tr><td>H</td><td>-4.09815240</td><td>0.00076568</td><td>2.50453142</td></tr><tr><td>N</td><td>-3.95780001</td><td>0.00137490</td><td>-0.74472729</td></tr><tr><td>C</td><td>-3.08594083</td><td>0.00116481</td><td>-1.75740362</td></tr><tr><td>H</td><td>-3.52186669</td><td>0.00156361</td><td>-2.75063891</td></tr><tr><td>N</td><td>-1.74783389</td><td>0.00062219</td><td>-1.70408058</td></tr><tr><td>C</td><td>-1.31810019</td><td>0.00026919</td><td>-0.45105384</td></tr><tr><td>H</td><td>0.81679479</td><td>-0.00006013</td><td>-0.59537403</td></tr><tr><td>O</td><td>-3.03934907</td><td>0.00246513</td><td>6.24748515</td></tr><tr><td>O</td><td>-0.37653834</td><td>0.00523114</td><td>6.59590524</td></tr><tr><td>C</td><td>-2.32929960</td><td>0.00151724</td><td>5.17095966</td></tr><tr><td>C</td><td>-0.78001586</td><td>0.00425303</td><td>5.35875305</td></tr><tr><td>O</td><td>-2.78618062</td><td>-0.00135950</td><td>4.03035161</td></tr><tr><td>O</td><td>-0.05971082</td><td>0.00530022</td><td>4.37926379</td></tr><tr><td>H</td><td>-1.52839737</td><td>0.00007898</td><td>2.78523783</td></tr><tr><td>C</td><td>-1.55450188</td><td>0.35620170</td><td>10.85231937</td></tr><tr><td>C</td><td>-0.90163560</td><td>-0.00425295</td><td>12.18811641</td></tr><tr><td>C</td><td>-1.83765610</td><td>0.34896127</td><td>13.35726941</td></tr><tr><td>C</td><td>-3.21800669</td><td>-0.30335141</td><td>13.19825329</td></tr><tr><td>C</td><td>-3.85986816</td><td>0.04231679</td><td>11.84311596</td></tr><tr><td>C</td><td>-2.91779875</td><td>-0.32585469</td><td>10.69515233</td></tr><tr><td>H</td><td>-1.37857780</td><td>0.03538412</td><td>14.29733230</td></tr><tr><td>H</td><td>-0.68096316</td><td>-1.07945281</td><td>12.20370579</td></tr><tr><td>H</td><td>0.05306997</td><td>0.52004243</td><td>12.28960849</td></tr><tr><td>H</td><td>-1.70104252</td><td>1.44023413</td><td>10.79726462</td></tr><tr><td>H</td><td>-3.12336979</td><td>-1.39185675</td><td>13.28661719</td></tr><tr><td>H</td><td>-3.88076817</td><td>0.01527350</td><td>14.00574985</td></tr><tr><td>H</td><td>-4.07733088</td><td>1.11747240</td><td>11.80108273</td></tr><tr><td>H</td><td>-2.76297972</td><td>-1.41010027</td><td>10.68286836</td></tr><tr><td>H</td><td>-1.94927218</td><td>1.43790124</td><td>13.41522771</td></tr><tr><td>N</td><td>-3.45131886</td><td>0.02139446</td><td>9.33400037</td></tr><tr><td>H</td><td>-4.18840331</td><td>-0.62891554</td><td>9.06398268</td></tr><tr><td>H</td><td>-3.88041935</td><td>0.94773719</td><td>9.35063636</td></tr><tr><td>Pt</td><td>-1.89875042</td><td>0.00645891</td><td>7.93971722</td></tr><tr><td>N</td><td>-0.72219074</td><td>-0.00031965</td><td>9.65342467</td></tr><tr><td>H</td><td>0.05871653</td><td>0.64753857</td><td>9.55321525</td></tr><tr><td>H</td><td>-0.30989049</td><td>-0.92683013</td><td>9.77323295</td></tr><tr><td>H</td><td>-4.81279413</td><td>-0.48193552</td><td>11.72567500</td></tr></table>
45

Oxal_2ndS-4

<table>
  <tbody>
    <tr>
      <td>N</td>
      <td>0.00000000</td>
      <td>0.00000000</td>
      <td>0.00000000</td>
    </tr>
    <tr>
      <td>C</td>
      <td>0.00000000</td>
      <td>0.00000000</td>
      <td>1.38014758</td>
    </tr>
    <tr>
      <td>H</td>
      <td>0.91906219</td>
      <td>0.00000000</td>
      <td>1.94647938</td>
    </tr>
    <tr>
      <td>N</td>
      <td>-1.20473231</td>
      <td>0.00012914</td>
      <td>1.89320788</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-2.03305882</td>
      <td>-0.00026193</td>
      <td>0.79738784</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-3.43680552</td>
      <td>-0.00052216</td>
      <td>0.70305467</td>
    </tr>
    <tr>
      <td>N</td>
      <td>-4.26557516</td>
      <td>-0.00066660</td>
      <td>1.74215073</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-5.28539250</td>
      <td>0.00356273</td>
      <td>1.64165596</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-3.84903424</td>
      <td>-0.00594447</td>
      <td>2.66046018</td>
    </tr>
    <tr>
      <td>N</td>
      <td>-3.91485153</td>
      <td>-0.00063742</td>
      <td>-0.57316017</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-3.10579300</td>
      <td>-0.00072667</td>
      <td>-1.67649833</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-3.62656394</td>
      <td>-0.00167465</td>
      <td>-2.62631057</td>
    </tr>
    <tr>
      <td>N</td>
      <td>-1.80232322</td>
      <td>-0.00013562</td>
      <td>-1.64844804</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-1.30696164</td>
      <td>-0.00010813</td>
      <td>-0.39582852</td>
    </tr>
    <tr>
      <td>H</td>
      <td>0.80329168</td>
      <td>-0.00016371</td>
      <td>-0.61321432</td>
    </tr>
    <tr>
      <td>Pt</td>
      <td>-8.92702791</td>
      <td>0.03447649</td>
      <td>2.51824824</td>
    </tr>
    <tr>
      <td>O</td>
      <td>-9.78690804</td>
      <td>-0.04790891</td>
      <td>0.70901404</td>
    </tr>
    <tr>
      <td>O</td>
      <td>-7.19711970</td>
      <td>0.01999147</td>
      <td>1.39723026</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-8.94868843</td>
      <td>-0.06588551</td>
      <td>-0.31070795</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-7.44861789</td>
      <td>-0.02274280</td>
      <td>0.11004663</td>
    </tr>
    <tr>
      <td>O</td>
      <td>-9.26184157</td>
      <td>-0.11256518</td>
      <td>-1.46699789</td>
    </tr>
    <tr>
      <td>O</td>
      <td>-6.57031301</td>
      <td>-0.03198505</td>
      <td>-0.73932828</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-4.96076048</td>
      <td>-0.00668789</td>
      <td>-0.69428560</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-10.53991180</td>
      <td>-0.26639738</td>
      <td>4.97591446</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-11.73897964</td>
      <td>0.09529123</td>
      <td>5.85534356</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-11.43437307</td>
      <td>-0.20710192</td>
      <td>7.33259259</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-10.14979078</td>
      <td>0.48947569</td>
      <td>7.80217391</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-8.95167100</td>
      <td>0.14292866</td>
      <td>6.90074951</td>
    </tr>
    <tr>
      <td>C</td>
      <td>-9.27065509</td>
      <td>0.45703787</td>
      <td>5.43768851</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-12.27964951</td>
      <td>0.10585865</td>
      <td>7.94930340</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-11.96553037</td>
      <td>1.16264355</td>
      <td>5.73578851</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-12.62260520</td>
      <td>-0.45807948</td>
      <td>5.52467589</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-10.36224877</td>
      <td>-1.34602458</td>
      <td>5.02534878</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-10.29923779</td>
      <td>1.57541583</td>
      <td>7.80356328</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-9.92260831</td>
      <td>0.20776204</td>
      <td>8.83268252</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-8.71515501</td>
      <td>-0.92485960</td>
      <td>6.99695198</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-9.42653278</td>
      <td>1.53486686</td>
      <td>5.32046151</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-11.33672750</td>
      <td>-1.29050670</td>
      <td>7.46797062</td>
    </tr>
    <tr>
      <td>N</td>
      <td>-8.16151167</td>
      <td>0.10449583</td>
      <td>4.48435383</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-7.40411980</td>
      <td>0.77875357</td>
      <td>4.57810321</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-7.77227279</td>
      <td>-0.80568868</td>
      <td>4.73260184</td>
    </tr>
    <tr>
      <td>N</td>
      <td>-10.73705607</td>
      <td>0.04569377</td>
      <td>3.52273954</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-11.37016601</td>
      <td>-0.62469049</td>
      <td>3.08642490</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-11.17288213</td>
      <td>0.96252984</td>
      <td>3.41063407</td>
    </tr>
    <tr>
      <td>H</td>
      <td>-8.06287980</td>
      <td>0.69783370</td>
      <td>7.21605415</td>
    </tr>
  </tbody>
</table>
[OxaliPt+H+G]$^+$ complex

Oxal_G_N7

46

<table><tr><td>H</td><td>0.00000000</td><td>0.00000000</td><td>0.00000000</td></tr><tr><td>N</td><td>0.00000000</td><td>0.00000000</td><td>1.01045960</td></tr><tr><td>C</td><td>1.10085498</td><td>0.00000000</td><td>1.80703216</td></tr><tr><td>H</td><td>2.11445918</td><td>-0.03232855</td><td>1.43603282</td></tr><tr><td>N</td><td>0.75944094</td><td>-0.02209998</td><td>3.08506609</td></tr><tr><td>C</td><td>-0.63657175</td><td>-0.04324185</td><td>3.11648767</td></tr><tr><td>C</td><td>-1.58658055</td><td>-0.10402613</td><td>4.18318146</td></tr><tr><td>O</td><td>-1.42128045</td><td>-0.11582152</td><td>5.40022622</td></tr><tr><td>N</td><td>-2.90522991</td><td>-0.15033574</td><td>3.67692526</td></tr><tr><td>C</td><td>-3.26759018</td><td>-0.13386198</td><td>2.34910160</td></tr><tr><td>N</td><td>-4.58278876</td><td>-0.15930492</td><td>2.05451060</td></tr><tr><td>H</td><td>-5.29177074</td><td>-0.34001733</td><td>2.74454751</td></tr><tr><td>H</td><td>-4.83705186</td><td>-0.20979349</td><td>1.08088100</td></tr><tr><td>N</td><td>-2.38292585</td><td>-0.07469726</td><td>1.37642301</td></tr><tr><td>C</td><td>-1.11555454</td><td>-0.03581093</td><td>1.80828438</td></tr><tr><td>Pt</td><td>2.19296656</td><td>-0.14563942</td><td>4.58578293</td></tr><tr><td>O</td><td>3.34914361</td><td>-0.90499439</td><td>3.08105124</td></tr><tr><td>O</td><td>4.43913982</td><td>-0.68838171</td><td>0.60380880</td></tr><tr><td>C</td><td>4.63144780</td><td>-0.73377334</td><td>3.01490268</td></tr><tr><td>C</td><td>5.11982119</td><td>-0.94814776</td><td>1.56395261</td></tr><tr><td>O</td><td>5.40160049</td><td>-0.39749405</td><td>3.89862996</td></tr><tr><td>O</td><td>6.37133677</td><td>-1.40152143</td><td>1.51828715</td></tr><tr><td>H</td><td>6.62379824</td><td>-1.47966446</td><td>0.58458357</td></tr><tr><td>H</td><td>-3.61357979</td><td>-0.18298267</td><td>4.40033213</td></tr><tr><td>C</td><td>1.79131760</td><td>0.44423665</td><td>7.44602661</td></tr><tr><td>C</td><td>1.32568949</td><td>1.35568194</td><td>8.58254977</td></tr><tr><td>C</td><td>2.10711623</td><td>1.04420951</td><td>9.87153663</td></tr><tr><td>C</td><td>3.62518139</td><td>1.12080166</td><td>9.65373144</td></tr><tr><td>C</td><td>4.08397080</td><td>0.22018624</td><td>8.49344382</td></tr><tr><td>C</td><td>3.30255800</td><td>0.55441694</td><td>7.22192776</td></tr><tr><td>H</td><td>1.80397539</td><td>1.73952569</td><td>10.65766660</td></tr><tr><td>H</td><td>1.49004790</td><td>2.40282271</td><td>8.29602601</td></tr><tr><td>H</td><td>0.25111829</td><td>1.23203636</td><td>8.74392524</td></tr><tr><td>H</td><td>1.55287270</td><td>-0.59592903</td><td>7.69402969</td></tr><tr><td>H</td><td>3.91423126</td><td>2.15701673</td><td>9.44254986</td></tr><tr><td>H</td><td>4.15127271</td><td>0.83415957</td><td>10.56709758</td></tr><tr><td>H</td><td>3.91585372</td><td>-0.83284190</td><td>8.75442367</td></tr><tr><td>H</td><td>3.53577961</td><td>1.57833440</td><td>6.90995360</td></tr><tr><td>H</td><td>1.83677642</td><td>0.04182818</td><td>10.22371506</td></tr><tr><td>N</td><td>3.63804598</td><td>-0.31598815</td><td>6.05473239</td></tr><tr><td>H</td><td>4.53945586</td><td>-0.10382124</td><td>5.60172335</td></tr><tr><td>H</td><td>3.69553214</td><td>-1.29185268</td><td>6.34928544</td></tr><tr><td>N</td><td>1.11347323</td><td>0.71515594</td><td>6.13739626</td></tr><tr><td>H</td><td>0.13990375</td><td>0.37051571</td><td>6.11537363</td></tr><tr><td>H</td><td>1.06911383</td><td>1.72286169</td><td>5.98184256</td></tr><tr><td>H</td><td>5.15617037</td><td>0.33794264</td><td>8.31386500</td></tr></table>
Oxal_G_2ndS-1

<table><tr><td>N</td><td>0.00000000</td><td>0.00000000</td><td>0.00000000</td></tr><tr><td>C</td><td>0.00000000</td><td>0.00000000</td><td>1.39166668</td></tr><tr><td>H</td><td>0.92279239</td><td>0.00000000</td><td>1.95230074</td></tr><tr><td>N</td><td>-1.19339952</td><td>0.00001252</td><td>1.90594801</td></tr><tr><td>C</td><td>-2.03511959</td><td>-0.00005051</td><td>0.80945702</td></tr><tr><td>C</td><td>-3.42148918</td><td>0.00019763</td><td>0.69062643</td></tr><tr><td>N</td><td>-3.90425131</td><td>-0.00000668</td><td>-0.58939037</td></tr><tr><td>C</td><td>-3.09308753</td><td>-0.00056143</td><td>-1.71308842</td></tr><tr><td>N</td><td>-1.77368178</td><td>-0.00042763</td><td>-1.64492752</td></tr><tr><td>C</td><td>-1.30297677</td><td>-0.00007428</td><td>-0.39561473</td></tr><tr><td>H</td><td>0.80072197</td><td>-0.00006285</td><td>-0.61472790</td></tr><tr><td>O</td><td>-8.60377232</td><td>-0.02644096</td><td>-2.04450822</td></tr><tr><td>O</td><td>-8.93909411</td><td>-0.00815956</td><td>0.61014699</td></tr><tr><td>C</td><td>-7.51988685</td><td>-0.01327366</td><td>-1.34365642</td></tr><tr><td>C</td><td>-7.71184073</td><td>0.00068890</td><td>0.20423549</td></tr><tr><td>O</td><td>-6.38643703</td><td>-0.01103725</td><td>-1.80900897</td></tr><tr><td>O</td><td>-6.73882157</td><td>0.01992873</td><td>0.94190859</td></tr><tr><td>H</td><td>-5.19064592</td><td>0.00475304</td><td>1.44344755</td></tr><tr><td>O</td><td>-4.23286042</td><td>0.00013371</td><td>1.70496084</td></tr><tr><td>N</td><td>-3.71783733</td><td>-0.00113492</td><td>-2.90041377</td></tr><tr><td>H</td><td>-4.72761034</td><td>-0.00435625</td><td>-2.96631427</td></tr><tr><td>H</td><td>-3.14568619</td><td>-0.00231674</td><td>-3.72799280</td></tr><tr><td>H</td><td>-4.92563611</td><td>0.00011649</td><td>-0.75593217</td></tr><tr><td>C</td><td>-13.21152079</td><td>0.28947375</td><td>-0.55769504</td></tr><tr><td>C</td><td>-14.54232470</td><td>-0.08061661</td><td>0.09981477</td></tr><tr><td>C</td><td>-15.71571764</td><td>0.25174779</td><td>-0.83865585</td></tr><tr><td>C</td><td>-15.55032478</td><td>-0.41033795</td><td>-2.21355021</td></tr><tr><td>C</td><td>-14.19967532</td><td>-0.05484905</td><td>-2.85983378</td></tr><tr><td>C</td><td>-13.04774295</td><td>-0.40212978</td><td>-1.91492729</td></tr><tr><td>H</td><td>-16.65185705</td><td>-0.06857378</td><td>-0.37633488</td></tr><tr><td>H</td><td>-14.54560015</td><td>-1.15398083</td><td>0.32960580</td></tr><tr><td>H</td><td>-14.64902767</td><td>0.45076319</td><td>1.04996479</td></tr><tr><td>H</td><td>-13.16860438</td><td>1.37285672</td><td>-0.71287344</td></tr><tr><td>H</td><td>-15.62644823</td><td>-1.49891329</td><td>-2.10991574</td></tr><tr><td>H</td><td>-16.36164295</td><td>-0.10621667</td><td>-2.87839090</td></tr><tr><td>H</td><td>-14.16992694</td><td>1.01882205</td><td>-3.08638332</td></tr><tr><td>H</td><td>-13.02194244</td><td>-1.48485062</td><td>-1.75146115</td></tr><tr><td>H</td><td>-15.78601404</td><td>1.33897565</td><td>-0.95915430</td></tr><tr><td>N</td><td>-11.69023240</td><td>-0.04259229</td><td>-2.45161472</td></tr><tr><td>H</td><td>-11.41311149</td><td>-0.69422916</td><td>-3.18509025</td></tr><tr><td>H</td><td>-11.71799149</td><td>0.88088208</td><td>-2.88665068</td></tr><tr><td>Pt</td><td>-10.29567375</td><td>-0.03122402</td><td>-0.90487496</td></tr><tr><td>N</td><td>-12.00699562</td><td>-0.04743337</td><td>0.27533709</td></tr><tr><td>H</td><td>-11.91357564</td><td>0.60721433</td><td>1.05157694</td></tr><tr><td>H</td><td>-12.11632743</td><td>-0.97210578</td><td>0.69493457</td></tr><tr><td>H</td><td>-14.07705560</td><td>-0.58605755</td><td>-3.80821898</td></tr></table>
Oxal_G_2ndS-2

<table><tr><td>N</td><td>0.00000000</td><td>0.00000000</td><td>0.00000000</td></tr><tr><td>C</td><td>0.00000000</td><td>0.00000000</td><td>1.38703545</td></tr><tr><td>H</td><td>0.92112845</td><td>0.00000000</td><td>1.94872763</td></tr><tr><td>N</td><td>-1.20237046</td><td>0.00006020</td><td>1.89296250</td></tr><tr><td>C</td><td>-2.04493804</td><td>0.00009361</td><td>0.80454518</td></tr><tr><td>C</td><td>-3.48392284</td><td>0.00012721</td><td>0.74044087</td></tr><tr><td>N</td><td>-3.92005942</td><td>0.00019713</td><td>-0.66794741</td></tr><tr><td>C</td><td>-3.15688005</td><td>0.00032379</td><td>-1.77760389</td></tr><tr><td>N</td><td>-1.82156785</td><td>0.00015814</td><td>-1.63572404</td></tr><tr><td>C</td><td>-1.30314919</td><td>0.00006525</td><td>-0.36203750</td></tr><tr><td>H</td><td>0.77928362</td><td>-0.00019438</td><td>-0.65255387</td></tr><tr><td>O</td><td>2.28718281</td><td>-0.00386382</td><td>-4.39904973</td></tr><tr><td>O</td><td>0.21290853</td><td>-0.00593696</td><td>-6.10340169</td></tr><tr><td>C</td><td>1.11279341</td><td>-0.00325267</td><td>-3.85457369</td></tr><tr><td>C</td><td>-0.09015917</td><td>-0.00289896</td><td>-4.84863268</td></tr><tr><td>O</td><td>0.88706147</td><td>-0.00289367</td><td>-2.65465935</td></tr><tr><td>O</td><td>-1.22944018</td><td>0.00028530</td><td>-4.39763934</td></tr><tr><td>H</td><td>-1.21546251</td><td>0.00026089</td><td>-2.47051219</td></tr><tr><td>O</td><td>-4.32860190</td><td>0.00007690</td><td>1.59048660</td></tr><tr><td>N</td><td>-3.68594119</td><td>0.00059021</td><td>-3.00308449</td></tr><tr><td>H</td><td>-4.68274484</td><td>0.00041637</td><td>-3.13860418</td></tr><tr><td>H</td><td>-3.06633212</td><td>0.00038288</td><td>-3.81016250</td></tr><tr><td>H</td><td>-4.92858180</td><td>0.00045115</td><td>-0.76224161</td></tr><tr><td>C</td><td>3.52073363</td><td>0.32775005</td><td>-9.06965199</td></tr><tr><td>C</td><td>3.70209460</td><td>-0.03920156</td><td>-10.54374609</td></tr><tr><td>C</td><td>5.12501421</td><td>0.31146918</td><td>-11.01328102</td></tr><tr><td>C</td><td>6.19433619</td><td>-0.33815191</td><td>-10.12414981</td></tr><tr><td>C</td><td>5.99294359</td><td>0.01355485</td><td>-8.63956251</td></tr><tr><td>C</td><td>4.57649661</td><td>-0.35180954</td><td>-8.19168771</td></tr><tr><td>H</td><td>5.25330607</td><td>-0.00616436</td><td>-12.05027554</td></tr><tr><td>H</td><td>3.52506948</td><td>-1.11482916</td><td>-10.67282279</td></tr><tr><td>H</td><td>2.95817561</td><td>0.48331965</td><td>-11.15218523</td></tr><tr><td>H</td><td>3.61463684</td><td>1.41225751</td><td>-8.94849988</td></tr><tr><td>H</td><td>6.16280988</td><td>-1.42709160</td><td>-10.24552747</td></tr><tr><td>H</td><td>7.19055906</td><td>-0.02119634</td><td>-10.43999141</td></tr><tr><td>H</td><td>6.15322066</td><td>1.08910703</td><td>-8.48973301</td></tr><tr><td>H</td><td>4.43924886</td><td>-1.43629259</td><td>-8.26046727</td></tr><tr><td>H</td><td>5.25069017</td><td>1.40035462</td><td>-11.00516335</td></tr><tr><td>N</td><td>4.27993964</td><td>0.00294234</td><td>-6.76140949</td></tr><tr><td>H</td><td>4.74871967</td><td>-0.64427720</td><td>-6.12815886</td></tr><tr><td>H</td><td>4.64924733</td><td>0.93019458</td><td>-6.54516466</td></tr><tr><td>N</td><td>2.16832266</td><td>-0.02486331</td><td>-8.51607262</td></tr><tr><td>H</td><td>1.46114752</td><td>0.62180636</td><td>-8.86418329</td></tr><tr><td>H</td><td>1.88834883</td><td>-0.95283079</td><td>-8.83750578</td></tr><tr><td>H</td><td>6.72657042</td><td>-0.50923299</td><td>-8.01901221</td></tr><tr><td>Pt</td><td>2.22633974</td><td>-0.00801366</td><td>-6.43468614</td></tr></table>
Oxal_G_2ndS-3

<table><tr><td>N</td><td>0.00000000</td><td>0.00000000</td><td>0.00000000</td></tr><tr><td>C</td><td>0.00000000</td><td>0.00000000</td><td>1.32460179</td></tr><tr><td>H</td><td>0.88979347</td><td>0.00000000</td><td>1.93706251</td></tr><tr><td>N</td><td>-1.22837686</td><td>-0.00000000</td><td>1.88944074</td></tr><tr><td>C</td><td>-2.12212182</td><td>0.00224812</td><td>0.83735804</td></tr><tr><td>C</td><td>-3.49734876</td><td>0.00763788</td><td>0.69774851</td></tr><tr><td>N</td><td>-3.93828844</td><td>0.00919530</td><td>-0.60331855</td></tr><tr><td>C</td><td>-3.09726883</td><td>-0.00168138</td><td>-1.70290576</td></tr><tr><td>N</td><td>-1.79590875</td><td>-0.00926838</td><td>-1.59534227</td></tr><tr><td>C</td><td>-1.31127246</td><td>0.00157576</td><td>-0.33922037</td></tr><tr><td>Pt</td><td>-3.25027734</td><td>0.06897970</td><td>7.87346302</td></tr><tr><td>O</td><td>-1.50892066</td><td>0.03826856</td><td>6.83273627</td></tr><tr><td>O</td><td>-4.06259990</td><td>0.05749136</td><td>5.99559420</td></tr><tr><td>C</td><td>-1.67787420</td><td>0.02781966</td><td>5.54214265</td></tr><tr><td>C</td><td>-3.16347892</td><td>0.03819137</td><td>5.07583296</td></tr><tr><td>O</td><td>-0.79182611</td><td>0.01139727</td><td>4.71155231</td></tr><tr><td>O</td><td>-3.38410232</td><td>0.02779936</td><td>3.86714984</td></tr><tr><td>H</td><td>-4.14008045</td><td>0.02193137</td><td>2.52633678</td></tr><tr><td>O</td><td>-4.46318404</td><td>0.01635892</td><td>1.57493518</td></tr><tr><td>N</td><td>-3.68743819</td><td>0.04457506</td><td>-2.92476823</td></tr><tr><td>H</td><td>-4.63277443</td><td>-0.27579297</td><td>-3.05991086</td></tr><tr><td>H</td><td>-3.05800613</td><td>-0.06100925</td><td>-3.70618250</td></tr><tr><td>H</td><td>-4.94267531</td><td>0.06361177</td><td>-0.72197577</td></tr><tr><td>H</td><td>-1.40968357</td><td>0.00307148</td><td>2.90074609</td></tr><tr><td>C</td><td>-4.74268303</td><td>-0.22111978</td><td>10.40885261</td></tr><tr><td>C</td><td>-5.86724182</td><td>0.16932336</td><td>11.36990466</td></tr><tr><td>C</td><td>-5.47684566</td><td>-0.16655915</td><td>12.82000975</td></tr><tr><td>C</td><td>-4.13838830</td><td>0.47439767</td><td>13.21228325</td></tr><tr><td>C</td><td>-3.01591409</td><td>0.09857988</td><td>12.22915185</td></tr><tr><td>C</td><td>-3.42052971</td><td>0.44993369</td><td>10.79616501</td></tr><tr><td>H</td><td>-6.26730398</td><td>0.16778350</td><td>13.49544402</td></tr><tr><td>H</td><td>-6.06180180</td><td>1.24592810</td><td>11.27983408</td></tr><tr><td>H</td><td>-6.79071321</td><td>-0.34731978</td><td>11.09234940</td></tr><tr><td>H</td><td>-4.60023004</td><td>-1.30682702</td><td>10.43480217</td></tr><tr><td>H</td><td>-4.24592278</td><td>1.56494265</td><td>13.23901073</td></tr><tr><td>H</td><td>-3.85483991</td><td>0.16749080</td><td>14.22133340</td></tr><tr><td>H</td><td>-2.81353935</td><td>-0.97838748</td><td>12.29355774</td></tr><tr><td>H</td><td>-3.54249348</td><td>1.53463971</td><td>10.70590081</td></tr><tr><td>H</td><td>-5.41153657</td><td>-1.25479701</td><td>12.93423781</td></tr><tr><td>N</td><td>-2.39543263</td><td>0.07144534</td><td>9.76517854</td></tr><tr><td>H</td><td>-1.60161076</td><td>0.71087008</td><td>9.79499378</td></tr><tr><td>H</td><td>-2.02007853</td><td>-0.85726341</td><td>9.96416493</td></tr><tr><td>N</td><td>-5.02549774</td><td>0.11473905</td><td>8.97145158</td></tr><tr><td>H</td><td>-5.71161288</td><td>-0.53188225</td><td>8.58396986</td></tr><tr><td>H</td><td>-5.44041830</td><td>1.04518615</td><td>8.90367425</td></tr><tr><td>H</td><td>-2.08790431</td><td>0.61493577</td><td>12.49134194</td></tr></table>
Oxal_G_2ndS-4

<table><tr><td>N</td><td>0.00000000</td><td>0.00000000</td><td>0.00000000</td></tr><tr><td>C</td><td>0.00000000</td><td>0.00000000</td><td>1.38885611</td></tr><tr><td>H</td><td>0.91854397</td><td>0.00000000</td><td>1.95480563</td></tr><tr><td>N</td><td>-1.20026680</td><td>0.00210838</td><td>1.89853652</td></tr><tr><td>C</td><td>-2.04655135</td><td>0.00419905</td><td>0.81269447</td></tr><tr><td>C</td><td>-3.48674492</td><td>0.00877032</td><td>0.74093578</td></tr><tr><td>N</td><td>-3.91358684</td><td>0.01365771</td><td>-0.67371575</td></tr><tr><td>C</td><td>-3.13920092</td><td>0.01453085</td><td>-1.77527650</td></tr><tr><td>N</td><td>-1.81006127</td><td>0.00689579</td><td>-1.62911738</td></tr><tr><td>C</td><td>-1.30737323</td><td>0.00296486</td><td>-0.35277508</td></tr><tr><td>H</td><td>0.78208493</td><td>-0.00461510</td><td>-0.66080981</td></tr><tr><td>H</td><td>-1.12672112</td><td>0.01327677</td><td>-2.44218639</td></tr><tr><td>O</td><td>-4.33519806</td><td>0.00949850</td><td>1.58520415</td></tr><tr><td>N</td><td>-3.66593943</td><td>0.02123444</td><td>-3.00667746</td></tr><tr><td>H</td><td>-4.66123815</td><td>0.03532346</td><td>-3.15645600</td></tr><tr><td>H</td><td>-3.06386436</td><td>0.02962564</td><td>-3.81715124</td></tr><tr><td>H</td><td>-4.92194228</td><td>0.01789144</td><td>-0.77431371</td></tr><tr><td>O</td><td>3.33896887</td><td>0.04101632</td><td>-4.56293437</td></tr><tr><td>O</td><td>1.84764071</td><td>-0.03459587</td><td>-2.33311111</td></tr><tr><td>C</td><td>2.03791534</td><td>0.06790533</td><td>-4.77139173</td></tr><tr><td>C</td><td>1.19179474</td><td>0.01947714</td><td>-3.46296367</td></tr><tr><td>O</td><td>1.50209642</td><td>0.12650851</td><td>-5.84277402</td></tr><tr><td>O</td><td>-0.03259837</td><td>0.03624856</td><td>-3.53471358</td></tr><tr><td>C</td><td>6.08294839</td><td>-0.54227795</td><td>-0.68760597</td></tr><tr><td>C</td><td>6.81825129</td><td>-0.25384851</td><td>0.62262794</td></tr><tr><td>C</td><td>8.30859316</td><td>-0.61652787</td><td>0.49609394</td></tr><tr><td>C</td><td>8.96574702</td><td>0.08761437</td><td>-0.69900155</td></tr><tr><td>C</td><td>8.20931212</td><td>-0.18868463</td><td>-2.00992667</td></tr><tr><td>C</td><td>6.73362993</td><td>0.18943800</td><td>-1.86519605</td></tr><tr><td>H</td><td>8.82590497</td><td>-0.35238471</td><td>1.42094337</td></tr><tr><td>H</td><td>6.71792297</td><td>0.81202170</td><td>0.86583366</td></tr><tr><td>H</td><td>6.35669085</td><td>-0.81457344</td><td>1.44098964</td></tr><tr><td>H</td><td>6.10878996</td><td>-1.61789490</td><td>-0.89278408</td></tr><tr><td>H</td><td>8.99617315</td><td>1.16846915</td><td>-0.51911399</td></tr><tr><td>H</td><td>10.00323467</td><td>-0.23694498</td><td>-0.80344987</td></tr><tr><td>H</td><td>8.28619603</td><td>-1.25383500</td><td>-2.26363251</td></tr><tr><td>H</td><td>6.64699970</td><td>1.26807935</td><td>-1.69628830</td></tr><tr><td>H</td><td>8.40844615</td><td>-1.70238401</td><td>0.38455301</td></tr><tr><td>N</td><td>5.91101957</td><td>-0.09731164</td><td>-3.08654462</td></tr><tr><td>H</td><td>6.10336178</td><td>0.58000123</td><td>-3.82484659</td></tr><tr><td>H</td><td>6.15161494</td><td>-1.01251399</td><td>-3.47113466</td></tr><tr><td>Pt</td><td>3.89331136</td><td>-0.06867630</td><td>-2.63774480</td></tr><tr><td>N</td><td>4.62371659</td><td>-0.17246254</td><td>-0.66051576</td></tr><tr><td>H</td><td>4.11400672</td><td>-0.84900394</td><td>-0.09498491</td></tr><tr><td>H</td><td>4.50968276</td><td>0.73294463</td><td>-0.20322595</td></tr><tr><td>H</td><td>8.65712464</td><td>0.37040398</td><td>-2.83648792</td></tr></table>
Complete citation for the Gaussian code of programs

Gaussian 16. Revision C.01.

Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Scalmani, G., Barone, V., Petersson, G. A., Nakatsuji, H., Li, X., Caricato, M., Marenich, A. V., Bloino, J., Janesko, B. G., Gomperts, R., Mennucci, B., Hratchian, H. P., Ortiz, J. V., Izmaylov, A. F., Sonnenberg, J. L., Williams, Ding, F., Lipparini, F., Egidi, F., Goings, J., Peng, B., Petrone, A., Henderson, T., Ranasinghe, D., Zakrzewski, V. G., Gao, J., Rega, N., Zheng, G., Liang, W., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Throssell, K., Montgomery Jr., J. A., Peralta, J. E., Ogliaro, F., Bearpark, M. J., Heyd, J. J., Brothers, E. N., Kudin, K. N., Staroverov, V. N., Keith, T. A., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A. P., Burant, J. C., Iyengar, S. S., Tomasi, J., Cossi, M., Millam, J. M., Klene, M., Adamo, C., Cammi, R., Ochterski, J. W., Martin, R. L., Morokuma, K., Farkas, O., Foresman, J. B. and Fox, D. J., Wallingford CT.