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	hartrees
Energy at 0K	-491.627978
Energy at 298.15K	-491.628558
HF Energy	-491.627978
Nuclear repulsion energy	78.506049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2612	2572	2.14
2	A'	2196	2162	18.00
3	A'	953	938	6.70
4	A'	683	673	0.07
5	A'	327	322	3.00
6	A"	392	386	0.35

Atom	x (Å)	y (Å)
S1	-0.061	-1.001
C2	0.000	0.695
N3	-0.043	1.860
H4	1.280	-1.170

	S1	C2	N3	H4
S1		1.6976	2.8608	1.3522
C2	1.6976		1.1650	2.2624
N3	2.8608	1.1650		3.3057
H4	1.3522	2.2624	3.3057

Number	Element	Mulliken
1	S	0.158
2	C	-0.010
3	N	-0.251
4	H	0.103

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

using model chemistry: B97D3/aug-cc-pVTZ

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
	0.903	-3.385	0.000	3.503
CHELPG
AIM
ESP

	x	y	z
x	4.589	-0.281	0.000
y	-0.281	8.226	-0.001
z	0.000	-0.001	4.392

<r²>	62.037
(<r²>)^1/2	7.876