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	hartrees
Energy at 0K	-486.018856
Energy at 298.15K	-486.019402
HF Energy	-486.018856
Nuclear repulsion energy	77.394511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	3094	4.89
2	A'	2446	2446	0.17
3	A'	1119	1119	15.61
4	A'	748	748	0.22
5	A'	364	364	4.52
6	A"	397	397	2.72

Atom	x (Å)	y (Å)
S1	-0.080	-1.017
C2	0.000	0.702
N3	0.002	1.889
H4	1.269	-1.159

	S1	C2	N3	H4
S1		1.7216	2.9076	1.3561
C2	1.7216		1.1867	2.2527
N3	2.9076	1.1867		3.3010
H4	1.3561	2.2527	3.3010

Number	Element	Mulliken
1	S	0.231
2	C	-0.071
3	N	-0.185
4	H	0.026

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

using model chemistry: M06-2X/STO-3G

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
	0.863	-2.920	0.000	3.045
CHELPG
AIM
ESP

	x	y	z
x	1.650	-0.358	0.000
y	-0.358	3.826	0.000
z	0.000	0.000	0.537

<r²>	61.743
(<r²>)^1/2	7.858