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	hartrees
Energy at 0K	-491.558283
Energy at 298.15K	-491.558894
HF Energy	-491.558283
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2775	2775	0.12
2	A'	2347	2347	16.40
3	A'	1001	1001	12.51
4	A'	711	711	0.42
5	A'	338	338	5.15
6	A"	398	398	2.57

Atom	x (Å)	y (Å)
S1	-0.073	-1.002
C2	0.000	0.699
N3	-0.012	1.859
H4	1.259	-1.178

	S1	C2	N3	H4
S1		1.7026	2.8620	1.3444
C2	1.7026		1.1603	2.2606
N3	2.8620	1.1603		3.2930
H4	1.3444	2.2606	3.2930

Number	Element	Mulliken
1	S	0.133
2	C	0.109
3	N	-0.356
4	H	0.114

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

using model chemistry: wB97X-D/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
	1.097	-3.173	0.000	3.357
CHELPG
AIM
ESP

	x	y	z
x	3.209	-0.247	0.000
y	-0.247	6.551	0.000
z	0.000	0.000	2.570

<r²>	61.879
(<r²>)^1/2	7.866