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	hartrees
Energy at 0K	-490.430034
Energy at 298.15K	-490.430810
HF Energy	-490.430034
Nuclear repulsion energy	80.016993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3890	3542	388.54
2	A'	2157	1965	1224.35
3	A'	901	820	13.90
4	A'	628	572	290.17
5	A'	441	401	310.99
6	A"	536	488	0.02

Atom	x (Å)	y (Å)
N1	-0.103	1.685
C2	0.000	0.505
S3	0.009	-1.077
H4	0.580	2.410

	N1	C2	S3	H4
N1		1.1840	2.7644	0.9966
C2	1.1840		1.5826	1.9912
S3	2.7644	1.5826		3.5338
H4	0.9966	1.9912	3.5338

Number	Element	Mulliken
1	N	-0.138
2	C	-0.197
3	S	0.263
4	H	0.073

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

using model chemistry: HF/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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	x	y	z	Total
	1.242	2.041	0.000	2.389
CHELPG
AIM
ESP

	x	y	z
x	4.149	-0.075	0.000
y	-0.075	9.420	0.000
z	0.000	0.000	4.116

<r²>	60.969
(<r²>)^1/2	7.808