aaronqiu/science_chemistry huggingface dataset:
Task: TMC charge and spin state identification
Question: You are an expert in transition metal chemistry. Given a Mn transition metal complex with the following 3D structure in a octahedral geometry, what is its oxidation state and spin state? Please answer in a format of [ox]/[spin], where [ox] is an integer and [spin] is either LS or HS.
54

Mn         8.89280        2.62340       12.82810
P         10.93860        2.90700       11.85460
P          9.45260        1.39730       14.77520
P          8.83020        4.69290       13.72610
P          8.80720        0.79490       11.49950
P          6.62480        2.86120       13.03590
C          8.20720       -0.85310       12.05040
H          8.69900       -1.12900       12.82690
H          8.33660       -1.49200       11.34550
H          7.27350       -0.79780       12.26500
C         11.19090        1.70600       10.49170
H         10.82630        2.06310        9.66670
H         12.13870        1.54810       10.36300
C          7.35720        4.81710       14.85920
H          7.52630        4.32080       15.67540
C         12.50420        2.72900       12.80370
H         12.59040        1.82450       13.11330
H         12.49130        3.32470       13.55730
H         13.24860        2.94610       12.23790
C         10.49850        0.41310       10.83920
H         11.01220       -0.06800       11.50760
H         10.42610       -0.14640       10.05040
C         10.70290        0.03920       14.66920
H         10.42330       -0.60170       14.01160
H         11.55310        0.40670       14.41700
C          8.51580        6.11350       12.58130
H          8.43270        6.92260       13.09160
H          9.24700        6.19630       11.96600
C         10.18990        5.41680       14.69200
H         10.98190        5.45590       14.15080
H          9.94860        6.30300       14.97080
C         11.28010        4.49830       10.95610
H         11.41260        5.20400       11.59370
H         10.53480        4.71350       10.39090
H         12.07060        4.39990       10.41970
C         10.15050        2.26000       16.23110
H         10.99470        2.65200       15.99580
H          9.54530        2.95030       16.51350
C          8.08600        0.48930       15.59470
H          7.40020        1.10840       15.85460
H          7.71940       -0.15620       14.98480
C          5.45140        1.55830       13.50510
H          5.61310        0.77560       12.97420
H          5.56470        1.34510       14.43400
C          6.15290        4.25660       14.15940
H          5.72530        4.95690       13.64150
C          7.85130        0.95370        9.94290
H          6.91210        0.95150       10.14320
H          8.05640        0.21470        9.36520
H          8.08400        1.77570        9.50700
C          5.79020        3.45340       11.49180
H          6.19070        4.27910       11.20840
H          5.89200        2.79520       10.80050
H          8.65620        3.38340       11.51130
Answer: 2/LS
Task: TMC charge and spin state identification
Question: You are an expert in transition metal chemistry. Given a Pt transition metal complex with the following 3D structure in a square planar geometry, what is its oxidation state and spin state? Please answer in a format of [ox]/[spin], where [ox] is an integer and [spin] is either LS or HS.
5

Pt        -0.13260       -0.07070        0.00000
Cl         1.46130       -1.22560        1.21920
Cl         1.47150        1.12760       -1.14550
N         -1.56930        0.94990       -0.94900
N         -1.55800       -1.18930        1.02720
Answer: 2/LS
Task: TMC charge and spin state identification
Question: You are an expert in transition metal chemistry. Given a Pt transition metal complex with the following 3D structure in a square planar geometry, what is its oxidation state and spin state? Please answer in a format of [ox]/[spin], where [ox] is an integer and [spin] is either LS or HS.
55

Pt         1.15460        7.82200        3.08720
N          0.55210        7.98730        1.11560
C         -0.03080        6.92080        0.52300
H         -0.33400        7.01290       -0.37270
P          0.31770        5.68790        2.84620
C         -0.20360        5.73100        1.13920
H         -0.57360        4.97550        0.69700
P          1.88260        9.97800        2.73220
C          1.60780        4.33660        2.93690
C          1.11980        3.00330        2.43250
H          0.69950        3.11980        1.55540
H          1.87840        2.38720        2.35050
C          2.76100        4.82810        2.04610
H          3.49740        4.18130        2.07720
H          2.44510        4.91840        1.12310
C          2.13560        4.22180        4.36810
H          2.94210        3.66500        4.37430
H          2.35190        5.11500        4.70850
C         -1.91290        4.04950        3.49720
H         -1.99200        3.98220        2.52320
H         -1.38910        3.29380        3.83510
C         -0.89170        5.37440        5.35820
H         -0.45090        4.53310        5.60420
H         -0.29680        6.12620        5.56070
C         -1.21030        5.36350        3.86370
C         -2.15860        6.52240        3.54690
H         -1.73570        7.36940        3.80280
H         -2.35480        6.53160        2.58780
C          0.70880        9.17710        0.47830
H          0.38410        9.26830       -0.41000
C          1.31080       10.23080        1.06590
H          1.42330       11.06070        0.61620
C          3.74150       10.13760        2.69840
C          4.21640        9.13750        1.63000
H          3.84060        9.38590        0.76030
H          5.19490        9.15420        1.57900
C          4.32840        9.71550        4.01650
H          3.92440        8.86800        4.29730
H          5.29660        9.60130        3.92080
C          4.19010       11.55080        2.32940
H          5.16340       11.56400        2.21510
H          3.75940       11.82180        1.49330
C          1.03480       11.25440        3.79910
C          1.54060       11.19840        5.22780
H          1.61150       10.26410        5.51350
H          2.42230       11.62280        5.27870
C          1.13040       12.67830        3.22760
H          2.06750       12.96500        3.22020
H          0.77990       12.68700        2.31200
C         -0.44260       10.86670        3.78170
H         -0.75990       10.83000        2.85490
H         -0.55400        9.98780        4.19910
N          1.57900        7.70800        4.90850
N          3.84680        7.41430        6.97950
N          2.69740        7.34810        5.70240
Answer: 2/HS