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	hartrees
Energy at 0K	-103.490163
Energy at 298.15K	-103.490728
HF Energy	-103.490163
Nuclear repulsion energy	41.964352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2488	2392	3.97
2	A'	2214	2128	13.85
3	A'	967	929	19.85
4	A'	639	614	0.92
5	A'	346	333	4.19
6	A"	390	375	0.03

Atom	x (Å)	y (Å)
S1	-0.076	-1.029
C2	0.000	0.723
N3	-0.011	1.907
H4	1.291	-1.227

	S1	C2	N3	H4
S1		1.7534	2.9358	1.3810
C2	1.7534		1.1834	2.3387
N3	2.9358	1.1834		3.3932
H4	1.3810	2.3387	3.3932

Number	Element	Mulliken
1	S	0.127
2	C	-0.280
3	N	0.021
4	H	0.132

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

using model chemistry: B3LYP/LANL2DZ

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
	1.317	-3.182	0.000	3.444
CHELPG
AIM
ESP

	x	y	z
x	3.297	-0.334	0.000
y	-0.334	6.934	0.000
z	0.000	0.000	1.486

<r²>	53.868
(<r²>)^1/2	7.340