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	hartrees
Energy at 0K	-491.468907
Energy at 298.15K	-491.469638
HF Energy	-491.300504
Nuclear repulsion energy	79.625711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3716	3546	275.80
2	A'	2046	1952	670.21
3	A'	871	831	2.99
4	A'	617	589	363.73
5	A'	456	435	85.24
6	A"	481	459	3.91

Atom	x (Å)	y (Å)
N1	-0.146	1.691
C2	0.000	0.497
S3	0.034	-1.081
H4	0.480	2.474

	N1	C2	S3	H4
N1		1.2023	2.7773	1.0032
C2	1.2023		1.5785	2.0345
S3	2.7773	1.5785		3.5830
H4	1.0032	2.0345	3.5830

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

using model chemistry: B2PLYP=FULL/TZVP

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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