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	hartrees
Energy at 0K	-490.388397
Energy at 298.15K	-490.389115
HF Energy	-490.388397
Nuclear repulsion energy	79.036765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2898	2616	0.23
2	A'	2569	2319	18.61
3	A'	1092	986	17.16
4	A'	738	666	3.60
5	A'	377	341	7.11
6	A"	441	398	5.39

Atom	x (Å)	y (Å)
S1	-0.079	-0.999
C2	0.000	0.709
N3	0.005	1.845
H4	1.234	-1.189

	S1	C2	N3	H4
S1		1.7090	2.8446	1.3271
C2	1.7090		1.1362	2.2637
N3	2.8446	1.1362		3.2735
H4	1.3271	2.2637	3.2735

Number	Element	Mulliken
1	S	0.180
2	C	0.089
3	N	-0.364
4	H	0.095

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

using model chemistry: HF/6-31G**

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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	x	y	z	Total
	1.062	-3.298	0.000	3.465
CHELPG
AIM
ESP

	x	y	z
x	3.133	-0.241	0.000
y	-0.241	6.149	0.000
z	0.000	0.000	2.533

<r²>	61.789
(<r²>)^1/2	7.861