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	hartrees
Energy at 0K	-491.489203
Energy at 298.15K
HF Energy	-491.294303
Nuclear repulsion energy	79.597405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3709	3709	253.72
2	A'	2044	2044	659.77
3	A'	876	876	2.61
4	A'	634	634	375.02
5	A'	450	450	78.23
6	A"	476	476	2.74

Atom	x (Å)	y (Å)
N1	-0.154	1.692
C2	0.000	0.497
S3	0.036	-1.080
H4	0.499	2.456

	N1	C2	S3	H4
N1		1.2056	2.7792	1.0051
C2	1.2056		1.5774	2.0219
S3	2.7792	1.5774		3.5665
H4	1.0051	2.0219	3.5665

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

using model chemistry: B2PLYP=FULLultrafine/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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