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	hartrees
Energy at 0K	-491.019356
Energy at 298.15K
HF Energy	-490.461200
Nuclear repulsion energy	79.554576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3902	3902
2	Σ	2152	2152
3	Σ	845	845
4	Π	482	482
4	Π	482	482
5	Π	460i	460i
5	Π	460i	460i

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.682
C2	0.000	0.000	-0.502
S3	0.000	0.000	1.091
H4	0.000	0.000	-2.672

	N1	C2	S3	H4
N1		1.1797	2.7729	0.9902
C2	1.1797		1.5932	2.1699
S3	2.7729	1.5932		3.7631
H4	0.9902	2.1699	3.7631

All results from a given calculation for HNCS (Isothiocyanic acid)

using model chemistry: QCISD(TQ)/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C*V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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