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	hartrees
Energy at 0K	-491.483606
Energy at 298.15K	-491.484358
HF Energy	-491.290280
Nuclear repulsion energy	79.588773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3714	3714	216.92
2	A'	2043	2043	657.23
3	A'	877	877	2.04
4	A'	670	670	416.76
5	A'	456	456	65.61
6	A"	478	478	3.39

Atom	x (Å)	y (Å)
N1	-0.160	1.692
C2	0.000	0.497
S3	0.040	-1.080
H4	0.486	2.461

	N1	C2	S3	H4
N1		1.2058	2.7793	1.0045
C2	1.2058		1.5775	2.0237
S3	2.7793	1.5775		3.5696
H4	1.0045	2.0237	3.5696

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

using model chemistry: B2PLYP=FULL/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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