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	hartrees
Energy at 0K	-491.353619
Energy at 298.15K	-491.354220
HF Energy	-491.353619
Nuclear repulsion energy	78.625469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2722	2601	1.38
2	A'	2320	2216	25.14
3	A'	983	939	13.73
4	A'	714	682	0.12
5	A'	333	318	3.79
6	A"	394	377	0.53

Atom	x (Å)	y (Å)
S1	-0.071	-1.000
C2	0.000	0.694
N3	-0.019	1.857
H4	1.266	-1.169

	S1	C2	N3	H4
S1		1.6955	2.8577	1.3474
C2	1.6955		1.1634	2.2525
N3	2.8577	1.1634		3.2880
H4	1.3474	2.2525	3.2880

Number	Element	Mulliken
1	S	0.166
2	C	0.022
3	N	-0.307
4	H	0.119

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

using model chemistry: PBE1PBE/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
	1.126	-3.394	0.000	3.576
CHELPG
AIM
ESP

	x	y	z
x	3.526	-0.239	0.000
y	-0.239	7.453	0.000
z	0.000	0.000	3.300

<r²>	62.021
(<r²>)^1/2	7.875