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	hartrees
Energy at 0K	-25.565056
Energy at 298.15K	-25.565727
HF Energy	-25.565056
Nuclear repulsion energy	25.795352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2706	2439	8.13
2	A'	2462	2219	14.36
3	A'	1061	956	28.87
4	A'	695	627	11.52
5	A'	374	337	5.97
6	A"	421	379	2.95

Atom	x (Å)	y (Å)
S1	-0.084	-1.025
C2	0.000	0.731
N3	0.013	1.893
H4	1.260	-1.239

	S1	C2	N3	H4
S1		1.7577	2.9191	1.3616
C2	1.7577		1.1618	2.3385
N3	2.9191	1.1618		3.3709
H4	1.3616	2.3385	3.3709

Number	Element	Mulliken
1	S	0.191
2	C	-0.571
3	N	0.313
4	H	0.068

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

using model chemistry: HF/CEP-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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	1.454	-3.365	0.000	3.666
CHELPG
AIM
ESP

	x	y	z
x	3.111	-0.293	0.000
y	-0.293	6.541	0.000
z	0.000	0.000	1.618

<r²>	45.533
(<r²>)^1/2	6.748