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	hartrees
Energy at 0K	-491.497599
Energy at 298.15K	-491.498190
HF Energy	-491.497599
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2562	2562	1.93
2	A'	2269	2269	14.13
3	A'	990	990	21.54
4	A'	664	664	1.16
5	A'	350	350	4.86
6	A"	392	392	0.15

Atom	x (Å)	y (Å)
S1	-0.077	-1.020
C2	0.000	0.715
N3	-0.007	1.893
H4	1.278	-1.226

	S1	C2	N3	H4
S1		1.7369	2.9132	1.3702
C2	1.7369		1.1772	2.3241
N3	2.9132	1.1772		3.3727
H4	1.3702	2.3241	3.3727

Number	Element	Mulliken
1	S	0.164
2	C	-0.331
3	N	0.021
4	H	0.147

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

using model chemistry: wB97X-D/SDD

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
	1.418	-3.103	0.000	3.411
CHELPG
AIM
ESP

	x	y	z
x	3.236	-0.346	0.000
y	-0.346	6.691	0.000
z	0.000	0.000	1.810

<r²>	64.129
(<r²>)^1/2	8.008