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	hartrees
Energy at 0K	-491.378663
Energy at 298.15K	-491.379264
HF Energy	-491.378663
Nuclear repulsion energy	78.624206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2719	2597	1.06
2	A'	2318	2213	25.65
3	A'	982	937	13.64
4	A'	713	681	0.13
5	A'	333	318	3.80
6	A"	395	377	0.54

Atom	x (Å)	y (Å)
S1	-0.071	-1.000
C2	0.000	0.694
N3	-0.020	1.857
H4	1.267	-1.169

	S1	C2	N3	H4
S1		1.6956	2.8577	1.3478
C2	1.6956		1.1632	2.2533
N3	2.8577	1.1632		3.2886
H4	1.3478	2.2533	3.2886

Number	Element	Mulliken
1	S	0.169
2	C	0.021
3	N	-0.307
4	H	0.118

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

using model chemistry: HSEh1PBE/6-31+G**

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
	1.119	-3.401	0.000	3.580
CHELPG
AIM
ESP

	x	y	z
x	3.534	-0.243	0.000
y	-0.243	7.473	0.000
z	0.000	0.000	3.303

<r²>	62.023
(<r²>)^1/2	7.875