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	hartrees
Energy at 0K	-490.957725
Energy at 298.15K	-490.958414
HF Energy	-490.411670
Nuclear repulsion energy	80.068170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3822	3599	355.07
2	A'	2131	2006	771.09
3	A'	886	834	14.29
4	A'	553	520	101.75
5	A'	414	390	421.22
6	A"	526	496	0.83

Atom	x (Å)	y (Å)
N1	-0.122	1.681
C2	0.000	0.496
S3	0.023	-1.076
H4	0.481	2.477

	N1	C2	S3	H4
N1		1.1915	2.7609	0.9984
C2	1.1915		1.5720	2.0387
S3	2.7609	1.5720		3.5823
H4	0.9984	2.0387	3.5823

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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