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	hartrees
Energy at 0K	-491.319332
Energy at 298.15K	-491.319887
HF Energy	-491.319332
Nuclear repulsion energy	77.961697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2612	2577	0.18
2	A'	2208	2178	17.14
3	A'	939	926	9.85
4	A'	686	677	0.01
5	A'	322	318	3.79
6	A"	385	380	1.10

Atom	x (Å)	y (Å)
S1	-0.070	-1.007
C2	0.000	0.696
N3	-0.022	1.874
H4	1.279	-1.186

	S1	C2	N3	H4
S1		1.7044	2.8817	1.3610
C2	1.7044		1.1785	2.2753
N3	2.8817	1.1785		3.3252
H4	1.3610	2.2753	3.3252

Number	Element	Mulliken
1	S	0.127
2	C	0.105
3	N	-0.352
4	H	0.120

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

using model chemistry: PBEPBE/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
	1.092	-3.099	0.000	3.286
CHELPG
AIM
ESP

	x	y	z
x	3.272	-0.277	0.000
y	-0.277	6.944	0.000
z	0.000	0.000	2.598

<r²>	62.419
(<r²>)^1/2	7.901