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	hartrees
Energy at 0K	-491.591786
Energy at 298.15K	-491.592543
HF Energy	-491.591786
Nuclear repulsion energy	79.844544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3709	3571	213.37
2	A'	2077	1999	720.66
3	A'	889	856	2.94
4	A'	657	632	378.26
5	A'	457	440	78.82
6	A"	486	468	1.82

Atom	x (Å)	y (Å)
N1	-0.145	1.687
C2	0.000	0.496
S3	0.032	-1.077
H4	0.509	2.450

	N1	C2	S3	H4
N1		1.2005	2.7700	1.0049
C2	1.2005		1.5729	2.0196
S3	2.7700	1.5729		3.5591
H4	1.0049	2.0196	3.5591

Number	Element	Mulliken
1	N	-0.586
2	C	0.170
3	S	0.043
4	H	0.372

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

using model chemistry: B3PW91/6-311G*

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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	x	y	z	Total
	1.257	1.858	0.000	2.243
CHELPG
AIM
ESP

	x	y	z
x	2.393	-0.225	0.000
y	-0.225	8.989	0.000
z	0.000	0.000	2.241

<r²>	60.737
(<r²>)^1/2	7.793