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	hartrees
Energy at 0K	-491.650827
Energy at 298.15K	-491.651402
HF Energy	-491.650827
Nuclear repulsion energy	78.108916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2645	2567	3.00
2	A'	2272	2205	20.82
3	A'	965	936	6.82
4	A'	690	669	0.29
5	A'	323	313	3.39
6	A"	386	375	0.64

Atom	x (Å)	y (Å)
S1	-0.063	-1.007
C2	0.000	0.703
N3	-0.039	1.868
H4	1.286	-1.177

	S1	C2	N3	H4
S1		1.7115	2.8748	1.3602
C2	1.7115		1.1651	2.2779
N3	2.8748	1.1651		3.3205
H4	1.3602	2.2779	3.3205

Number	Element	Mulliken
1	S	0.411
2	C	-0.332
3	N	-0.149
4	H	0.070

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

using model chemistry: B3LYP/aug-cc-pVDZ

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
	0.941	-3.461	0.000	3.587
CHELPG
AIM
ESP

	x	y	z
x	4.456	-0.269	0.000
y	-0.269	7.996	0.000
z	0.000	0.000	4.209

<r²>	62.733
(<r²>)^1/2	7.920