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	hartrees
Energy at 0K	-490.828540
Energy at 298.15K
HF Energy	-490.388150
Nuclear repulsion energy	79.249587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3904	3904
2	Σ	2184	2184
3	Σ	850	850
4	Π	453	453
4	Π	453	453
5	Π	502i	502i
5	Π	502i	502i

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.689
C2	0.000	0.000	-0.502
S3	0.000	0.000	1.095
H4	0.000	0.000	-2.686

	N1	C2	S3	H4
N1		1.1869	2.7833	0.9977
C2	1.1869		1.5964	2.1846
S3	2.7833	1.5964		3.7809
H4	0.9977	2.1846	3.7809

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

using model chemistry: QCISD(TQ)/6-31G*

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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