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	hartrees
Energy at 0K	-491.662676
Energy at 298.15K	-491.663275
HF Energy	-491.662676
Nuclear repulsion energy	78.533934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2610	2522	0.17
2	A'	2289	2212	18.40
3	A'	996	962	10.00
4	A'	688	665	0.27
5	A'	336	325	3.69
6	A"	398	385	1.09

Atom	x (Å)	y (Å)
S1	-0.070	-1.002
C2	0.000	0.701
N3	-0.023	1.857
H4	1.273	-1.179

	S1	C2	N3	H4
S1		1.7038	2.8592	1.3541
C2	1.7038		1.1566	2.2704
N3	2.8592	1.1566		3.3013
H4	1.3541	2.2704	3.3013

Number	Element	Mulliken
1	S	0.083
2	C	-0.044
3	N	-0.225
4	H	0.187

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

using model chemistry: B3LYP/6-311G*

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
	1.076	-3.285	0.000	3.456
CHELPG
AIM
ESP

	x	y	z
x	3.394	-0.241	0.000
y	-0.241	6.896	0.000
z	0.000	0.000	2.434

<r²>	62.132
(<r²>)^1/2	7.882