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	hartrees
Energy at 0K	-167.626939
Energy at 298.15K	-167.627840
Nuclear repulsion energy	57.299672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3508	3366	86.78
2	A'	2342	2247	58.20
3	A'	1246	1196	105.77
4	A'	1037	995	93.14
5	A'	459	440	20.48
6	A"	487	467	2.54

Atom	x (Å)	y (Å)
N1	0.102	1.352
C2	0.000	0.186
O3	-0.175	-1.121
H4	0.688	-1.615

	N1	C2	O3	H4
N1		1.1702	2.4879	3.0240
C2	1.1702		1.3183	1.9278
O3	2.4879	1.3183		0.9947
H4	3.0240	1.9278	0.9947

Number	Element	Mulliken
1	N	-0.409
2	C	0.573
3	O	-0.584
4	H	0.420

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

using model chemistry: B3PW91/3-21G*

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
	1.686	-3.478	0.000	3.865
CHELPG
AIM
ESP

	x	y	z
x	1.369	-0.069	0.000
y	-0.069	3.853	0.000
z	0.000	0.000	1.003

<r²>	0.000
(<r²>)^1/2	0.000