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	hartrees
Energy at 0K	-491.254558
Energy at 298.15K	-491.255072
HF Energy	-491.254558
Nuclear repulsion energy	76.216811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2427	2393	12.06
2	A'	2162	2132	13.22
3	A'	920	907	15.94
4	A'	631	622	0.16
5	A'	326	321	3.94
6	A"	372	367	0.38

Atom	x (Å)	y (Å)
S1	-0.071	-1.032
C2	0.000	0.725
N3	-0.024	1.913
H4	1.308	-1.223

	S1	C2	N3	H4
S1		1.7588	2.9462	1.3926
C2	1.7588		1.1888	2.3465
N3	2.9462	1.1888		3.4077
H4	1.3926	2.3465	3.4077

Number	Element	Mulliken
1	S	0.281
2	C	-0.116
3	N	-0.278
4	H	0.114

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
	1.345	-2.939	0.000	3.232
CHELPG
AIM
ESP

	x	y	z
x	3.286	-0.353	0.000
y	-0.353	6.983	0.000
z	0.000	0.000	2.283

<r²>	65.057
(<r²>)^1/2	8.066