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	hartrees
Energy at 0K	-491.396316
Energy at 298.15K	-491.396941
HF Energy	-491.396316
Nuclear repulsion energy	78.860166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2701	2591	2.95
2	A'	2321	2226	21.39
3	A'	980	940	10.06
4	A'	713	684	0.09
5	A'	342	328	3.90
6	A"	404	388	1.15

Atom	x (Å)	y (Å)
S1	-0.071	-0.997
C2	0.000	0.695
N3	-0.018	1.850
H4	1.268	-1.163

	S1	C2	N3	H4
S1		1.6932	2.8479	1.3493
C2	1.6932		1.1558	2.2488
N3	2.8479	1.1558		3.2760
H4	1.3493	2.2488	3.2760

Number	Element	Mulliken
1	S	0.154
2	C	-0.023
3	N	-0.258
4	H	0.128

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

using model chemistry: PBE1PBE/6-311G**

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
	1.081	-3.285	0.000	3.458
CHELPG
AIM
ESP

	x	y	z
x	3.367	-0.227	0.000
y	-0.227	6.880	0.000
z	0.000	0.000	2.477

<r²>	61.593
(<r²>)^1/2	7.848