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	hartrees
Energy at 0K	-491.582170
Energy at 298.15K	-491.582738
HF Energy	-491.582170
Nuclear repulsion energy	77.873801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2603	2581	0.68
2	A'	2204	2185	16.52
3	A'	939	931	7.07
4	A'	682	676	0.03
5	A'	325	322	2.72
6	A"	389	386	0.50

Atom	x (Å)	y (Å)
S1	-0.070	-1.009
C2	0.000	0.699
N3	-0.024	1.875
H4	1.284	-1.178

	S1	C2	N3	H4
S1		1.7091	2.8845	1.3649
C2	1.7091		1.1767	2.2745
N3	2.8845	1.1767		3.3220
H4	1.3649	2.2745	3.3220

Number	Element	Mulliken
1	S	0.074
2	C	-0.093
3	N	-0.111
4	H	0.130

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

using model chemistry: B97D3/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
	1.005	-3.164	0.000	3.320
CHELPG
AIM
ESP

	x	y	z
x	3.396	-0.290	0.000
y	-0.290	6.905	0.000
z	0.000	0.000	2.336

<r²>	62.404
(<r²>)^1/2	7.900