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	hartrees
Energy at 0K	-491.550432
Energy at 298.15K
HF Energy	-491.317093
Nuclear repulsion energy	79.923634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3701	247.07
2	A'	2032	2032	674.76
3	A'	882	882	1.89
4	A'	654	654	351.55
5	A'	465	465	79.01
6	A"	495	495	3.57

Atom	x (Å)	y (Å)
N1	-0.149	1.687
C2	0.000	0.492
S3	0.033	-1.075
H4	0.509	2.444

	N1	C2	S3	H4
N1		1.2040	2.7682	1.0029
C2	1.2040		1.5679	2.0168
S3	2.7682	1.5679		3.5510
H4	1.0029	2.0168	3.5510

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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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