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	hartrees
Energy at 0K	-168.651140
Energy at 298.15K	-168.652090
HF Energy	-168.651140
Nuclear repulsion energy	57.968945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3740	3609	124.47
2	A'	2363	2280	107.36
3	A'	1245	1201	89.53
4	A'	1094	1055	65.71
5	A'	468	451	13.74
6	A"	526	508	3.05

Atom	x (Å)	y (Å)
N1	-0.003	1.342
C2	0.000	0.178
O3	-0.096	-1.119
H4	0.792	-1.509

	N1	C2	O3	H4
N1		1.1635	2.4630	2.9595
C2	1.1635		1.3013	1.8639
O3	2.4630	1.3013		0.9702
H4	2.9595	1.8639	0.9702

All results from a given calculation for HOCN (cyanic acid)

using model chemistry: TPSSh/6-31G(2df,p)

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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