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	hartrees
Energy at 0K	-485.721399
Energy at 298.15K	-485.721864
HF Energy	-485.721399
Nuclear repulsion energy	76.443152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2853	2606	6.48
2	A'	2234	2041	0.97
3	A'	1052	961	11.08
4	A'	713	651	0.74
5	A'	333	305	2.79
6	A"	376	344	0.68

Atom	x (Å)	y (Å)
S1	-0.072	-1.027
C2	0.000	0.700
N3	-0.021	1.915
H4	1.300	-1.172

	S1	C2	N3	H4
S1		1.7288	2.9430	1.3794
C2	1.7288		1.2155	2.2789
N3	2.9430	1.2155		3.3580
H4	1.3794	2.2789	3.3580

Number	Element	Mulliken
1	S	0.224
2	C	-0.083
3	N	-0.181
4	H	0.040

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

using model chemistry: PBEPBE/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
	0.889	-3.044	0.000	3.172
CHELPG
AIM
ESP

	x	y	z
x	1.660	-0.385	0.000
y	-0.385	4.170	0.000
z	0.000	0.000	0.568

<r²>	62.736
(<r²>)^1/2	7.921