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	hartrees
Energy at 0K	-491.396938
Energy at 298.15K	-491.397683
HF Energy	-491.248179
Nuclear repulsion energy	79.417085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3739	3739	236.57
2	A'	2058	2058	600.00
3	A'	881	881	2.07
4	A'	667	667	387.41
5	A'	452	452	60.98
6	A"	476	476	1.63

Atom	x (Å)	y (Å)
N1	-0.168	1.696
C2	0.000	0.497
S3	0.043	-1.082
H4	0.486	2.460

	N1	C2	S3	H4
N1		1.2112	2.7861	1.0053
C2	1.2112		1.5792	2.0225
S3	2.7861	1.5792		3.5695
H4	1.0053	2.0225	3.5695

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

using model chemistry: B2PLYP=FULL/6-31G**

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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