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	hartrees
Energy at 0K	-491.637503
Energy at 298.15K	-491.638246
HF Energy	-491.637503
Nuclear repulsion energy	79.446824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3698	3553	225.23
2	A'	2069	1988	647.03
3	A'	876	842	2.77
4	A'	656	630	358.63
5	A'	452	435	69.50
6	A"	482	463	0.58

Atom	x (Å)	y (Å)
N1	-0.151	1.696
C2	0.000	0.498
S3	0.034	-1.082
H4	0.516	2.452

	N1	C2	S3	H4
N1		1.2073	2.7846	1.0076
C2	1.2073		1.5811	2.0201
S3	2.7846	1.5811		3.5665
H4	1.0076	2.0201	3.5665

Number	Element	Mulliken
1	N	-0.514
2	C	0.281
3	S	-0.074
4	H	0.307

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

using model chemistry: B3LYP/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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	x	y	z	Total
	1.208	1.915	0.000	2.264
CHELPG
AIM
ESP

	x	y	z
x	2.498	-0.167	0.000
y	-0.167	8.771	0.000
z	0.000	0.000	2.305

<r²>	61.073
(<r²>)^1/2	7.815