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	hartrees
Energy at 0K	-491.532516
Energy at 298.15K
HF Energy	-491.302222
Nuclear repulsion energy	78.811157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2706	2706	4.59
2	A'	2217	2217	8.79
3	A'	986	986	8.77
4	A'	702	702	0.33
5	A'	339	339	3.84
6	A"	402	402	0.87

Atom	x (Å)	y (Å)
S1	-0.070	-0.998
C2	0.000	0.692
N3	-0.020	1.854
H4	1.260	-1.164

	S1	C2	N3	H4
S1		1.6917	2.8520	1.3399
C2	1.6917		1.1614	2.2437
N3	2.8520	1.1614		3.2781
H4	1.3399	2.2437	3.2781

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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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