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	hartrees
Energy at 0K	-491.615223
Energy at 298.15K	-491.615808
HF Energy	-491.615223
Nuclear repulsion energy	78.324389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2702	2592	1.48
2	A'	2271	2179	18.25
3	A'	996	956	12.42
4	A'	696	668	0.09
5	A'	331	317	4.06
6	A"	395	379	1.47

Atom	x (Å)	y (Å)
S1	-0.070	-1.003
C2	0.000	0.697
N3	-0.021	1.866
H4	1.266	-1.187

	S1	C2	N3	H4
S1		1.7013	2.8693	1.3479
C2	1.7013		1.1692	2.2691
N3	2.8693	1.1692		3.3126
H4	1.3479	2.2691	3.3126

Number	Element	Mulliken
1	S	0.107
2	C	0.120
3	N	-0.372
4	H	0.145

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

using model chemistry: TPSSh/6-31G*

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
	1.092	-3.129	0.000	3.314
CHELPG
AIM
ESP

	x	y	z
x	3.211	-0.282	0.000
y	-0.282	6.759	0.000
z	0.000	0.000	2.562

<r²>	62.080
(<r²>)^1/2	7.879