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	hartrees
Energy at 0K	-491.590668
Energy at 298.15K	-491.591212
HF Energy	-491.590668
Nuclear repulsion energy	77.853965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2600	2600	1.17
2	A'	2190	2190	19.20
3	A'	939	939	6.44
4	A'	678	678	0.06
5	A'	313	313	2.83
6	A"	376	376	0.23

Atom	x (Å)	y (Å)
S1	-0.062	-1.010
C2	0.000	0.700
N3	-0.044	1.875
H4	1.292	-1.175

	S1	C2	N3	H4
S1		1.7109	2.8848	1.3638
C2	1.7109		1.1758	2.2777
N3	2.8848	1.1758		3.3304
H4	1.3638	2.2777	3.3304

Number	Element	Mulliken
1	S	0.347
2	C	-0.257
3	N	-0.216
4	H	0.126

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

using model chemistry: B97D3/aug-cc-pVDZ

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
	0.931	-3.396	0.000	3.521
CHELPG
AIM
ESP

	x	y	z
x	4.536	-0.284	0.000
y	-0.284	8.311	0.000
z	0.000	0.000	4.309

<r²>	62.860
(<r²>)^1/2	7.928