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	hartrees
Energy at 0K	-491.582494
Energy at 298.15K	-491.583197
HF Energy	-491.582494
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3775	3594	313.22
2	A'	2088	1988	865.04
3	A'	887	844	7.79
4	A'	593	565	329.60
5	A'	443	422	129.37
6	A"	480	457	2.19

Atom	x (Å)	y (Å)
N1	-0.146	1.689
C2	0.000	0.496
S3	0.034	-1.079
H4	0.482	2.473

	N1	C2	S3	H4
N1		1.2021	2.7740	1.0045
C2	1.2021		1.5753	2.0350
S3	2.7740	1.5753		3.5801
H4	1.0045	2.0350	3.5801

Number	Element	Mulliken
1	N	-0.443
2	C	0.096
3	S	-0.005
4	H	0.352

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

using model chemistry: wB97X-D/6-31+G**

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	1.907	0.000	2.275
CHELPG
AIM
ESP

	x	y	z
x	2.996	-0.351	0.000
y	-0.351	9.679	0.000
z	0.000	0.000	2.944

<r²>	61.042
(<r²>)^1/2	7.813