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	hartrees
Energy at 0K	-491.438438
Energy at 298.15K
HF Energy	-491.282856
Nuclear repulsion energy	79.066222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3670	3531	225.70
2	A'	2008	1933	706.80
3	A'	872	839	0.91
4	A'	686	660	361.75
5	A'	449	432	58.14
6	A"	476	458	5.86

Atom	x (Å)	y (Å)
N1	-0.178	1.704
C2	0.000	0.500
S3	0.047	-1.086
H4	0.500	2.453

	N1	C2	S3	H4
N1		1.2170	2.7990	1.0108
C2	1.2170		1.5867	2.0165
S3	2.7990	1.5867		3.5684
H4	1.0108	2.0165	3.5684

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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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