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	hartrees
Energy at 0K	-32.089106
Energy at 298.15K	-32.089985
Nuclear repulsion energy	30.384899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3727	3613	112.32
2	A'	2322	2251	113.62
3	A'	1253	1215	115.47
4	A'	1070	1037	60.43
5	A'	427	414	14.64
6	A"	485	470	1.62

Atom	x (Å)	y (Å)
N1	0.056	1.349
C2	0.000	0.183
O3	-0.142	-1.125
H4	0.738	-1.546

	N1	C2	O3	H4
N1		1.1678	2.4822	2.9742
C2	1.1678		1.3155	1.8795
O3	2.4822	1.3155		0.9750
H4	2.9742	1.8795	0.9750

Number	Element	Mulliken
1	N	-0.057
2	C	-0.019
3	O	-0.384
4	H	0.460

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

using model chemistry: B3LYP/CEP-121G*

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
	1.575	-3.608	0.000	3.937
CHELPG
AIM
ESP

	x	y	z
x	1.942	-0.070	0.000
y	-0.070	4.352	0.000
z	0.000	0.000	1.707

<r²>	0.000
(<r²>)^1/2	0.000