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	hartrees
Energy at 0K	-491.711141
Energy at 298.15K	-491.711906
HF Energy	-491.711141
Nuclear repulsion energy	79.862144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3671	3551	243.26
2	A'	2039	1972	772.98
3	A'	876	848	2.80
4	A'	648	627	337.34
5	A'	461	446	77.61
6	A"	491	475	3.57

Atom	x (Å)	y (Å)
N1	-0.144	1.687
C2	0.000	0.496
S3	0.031	-1.077
H4	0.514	2.446

	N1	C2	S3	H4
N1		1.1998	2.7694	1.0045
C2	1.1998		1.5731	2.0165
S3	2.7694	1.5731		3.5556
H4	1.0045	2.0165	3.5556

Number	Element	Mulliken
1	N	-0.109
2	C	-0.122
3	S	0.018
4	H	0.213

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

using model chemistry: B3LYP/aug-cc-pVTZ

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
	1.073	1.584	0.000	1.913
CHELPG
AIM
ESP

	x	y	z
x	4.456	-0.188	0.000
y	-0.188	9.943	0.000
z	0.000	0.000	4.421

<r²>	60.909
(<r²>)^1/2	7.804