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	hartrees
Energy at 0K	-488.022393
Energy at 298.15K	-488.023242
HF Energy	-488.022393
Nuclear repulsion energy	79.266209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2890	2609	0.30
2	A'	2535	2288	6.02
3	A'	1134	1023	20.20
4	A'	744	672	5.71
5	A'	453	409	4.21
6	A"	505	456	2.88

Atom	x (Å)	y (Å)
S1	-0.084	-0.993
C2	0.000	0.700
N3	0.017	1.841
H4	1.227	-1.197

	S1	C2	N3	H4
S1		1.6950	2.8358	1.3270
C2	1.6950		1.1411	2.2591
N3	2.8358	1.1411		3.2699
H4	1.3270	2.2591	3.2699

Number	Element	Mulliken
1	S	0.192
2	C	0.072
3	N	-0.431
4	H	0.167

All results from a given calculation for HSCN (thiocyanic acid)

using model chemistry: HF/3-21G*

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
	1.056	-3.006	0.000	3.186
CHELPG
AIM
ESP

	x	y	z
x	2.914	-0.261	0.000
y	-0.261	5.716	0.000
z	0.000	0.000	2.052

<r²>	61.592
(<r²>)^1/2	7.848