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	hartrees
Energy at 0K	-491.654649
Energy at 298.15K	-491.655206
HF Energy	-491.654649
Nuclear repulsion energy	78.090963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2567	2558	1.87
2	A'	2174	2167	17.22
3	A'	946	942	6.51
4	A'	663	661	0.12
5	A'	323	322	2.85
6	A"	385	384	0.34

Atom	x (Å)	y (Å)
S1	-0.061	-1.007
C2	0.000	0.702
N3	-0.045	1.868
H4	1.288	-1.178

	S1	C2	N3	H4
S1		1.7102	2.8756	1.3593
C2	1.7102		1.1673	2.2788
N3	2.8756	1.1673		3.3253
H4	1.3593	2.2788	3.3253

Number	Element	Mulliken
1	S	0.153
2	C	-0.046
3	N	-0.230
4	H	0.123

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

using model chemistry: BLYP/aug-cc-pVTZ

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
	0.883	-3.424	0.000	3.536
CHELPG
AIM
ESP

	x	y	z
x	4.688	-0.294	0.000
y	-0.294	8.363	-0.000
z	0.000	-0.000	4.481

<r²>	62.780
(<r²>)^1/2	7.923