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	hartrees
Energy at 0K	-490.463259
Energy at 298.15K	-490.463963
HF Energy	-490.463259
Nuclear repulsion energy	80.673996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3932	3564	455.20
2	A'	2187	1982	1203.37
3	A'	902	818	23.19
4	A'	587	532	113.87
5	A'	385	349	497.00
6	A"	550	499	0.02

Atom	x (Å)	y (Å)
N1	-0.089	1.668
C2	0.000	0.500
S3	0.006	-1.070
H4	0.526	2.441

	N1	C2	S3	H4
N1		1.1709	2.7396	0.9886
C2	1.1709		1.5705	2.0112
S3	2.7396	1.5705		3.5498
H4	0.9886	2.0112	3.5498

Number	Element	Mulliken
1	N	-0.329
2	C	0.226
3	S	-0.149
4	H	0.252

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

using model chemistry: HF/Def2TZVPP

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
	1.178	2.255	0.000	2.544
CHELPG
AIM
ESP

	x	y	z
x	3.374	-0.080	0.000
y	-0.080	8.953	0.000
z	0.000	0.000	3.306

<r²>	60.103
(<r²>)^1/2	7.753