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	hartrees
Energy at 0K	-490.867020
Energy at 298.15K	-490.867736
HF Energy	-490.432818
Nuclear repulsion energy	79.801185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3586	253.53
2	A'	2086	1993	885.98
3	A'	896	856	6.78
4	A'	603	576	454.33
5	A'	449	429	170.17
6	A"	480	458	1.80

Atom	x (Å)	y (Å)
N1	-0.146	1.688
C2	0.000	0.496
S3	0.033	-1.078
H4	0.499	2.456

	N1	C2	S3	H4
N1		1.2000	2.7713	1.0037
C2	1.2000		1.5748	2.0226
S3	2.7713	1.5748		3.5652
H4	1.0037	2.0226	3.5652

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

using model chemistry: CCD/6-311G*

States and conformations

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