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	hartrees
Energy at 0K	-491.677561
Energy at 298.15K	-491.678300
HF Energy	-491.677561
Nuclear repulsion energy	79.214398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3556	3544	178.06
2	A'	1965	1958	638.07
3	A'	846	843	0.92
4	A'	676	674	324.49
5	A'	447	445	45.03
6	A"	467	466	5.89

Atom	x (Å)	y (Å)
N1	-0.168	1.700
C2	0.000	0.499
S3	0.042	-1.085
H4	0.502	2.460

	N1	C2	S3	H4
N1		1.2132	2.7927	1.0125
C2	1.2132		1.5838	2.0243
S3	2.7927	1.5838		3.5740
H4	1.0125	2.0243	3.5740

Number	Element	Mulliken
1	N	-0.118
2	C	-0.126
3	S	0.058
4	H	0.187

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

using model chemistry: BLYP/aug-cc-pVTZ

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
	1.044	1.454	0.000	1.790
CHELPG
AIM
ESP

	x	y	z
x	4.592	-0.239	0.000
y	-0.239	10.269	0.000
z	0.000	0.000	4.554

<r²>	61.722
(<r²>)^1/2	7.856