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	hartrees
Energy at 0K	-491.661204
Energy at 298.15K	-491.661959
HF Energy	-491.661204
Nuclear repulsion energy	79.223433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3633	3524	200.84
2	A'	2049	1987	621.83
3	A'	878	851	1.36
4	A'	680	660	323.99
5	A'	447	433	62.66
6	A"	479	465	1.27

Atom	x (Å)	y (Å)
N1	-0.153	1.702
C2	0.000	0.501
S3	0.032	-1.084
H4	0.554	2.430

	N1	C2	S3	H4
N1		1.2116	2.7930	1.0147
C2	1.2116		1.5853	2.0078
S3	2.7930	1.5853		3.5533
H4	1.0147	2.0078	3.5533

Number	Element	Mulliken
1	N	-0.151
2	C	0.077
3	S	-0.074
4	H	0.147

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

using model chemistry: B3LYPultrafine/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
	1.182	1.705	0.000	2.075
CHELPG
AIM
ESP

	x	y	z
x	2.429	-0.111	0.000
y	-0.111	8.634	0.000
z	0.000	0.000	2.226

<r²>	61.201
(<r²>)^1/2	7.823