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	hartrees
Energy at 0K	-168.647320
Energy at 298.15K	-168.648226
Nuclear repulsion energy	57.888858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3769	3628	156.52
2	A'	2377	2288	138.07
3	A'	1219	1173	92.52
4	A'	1100	1059	79.94
5	A'	442	426	15.21
6	A"	501	482	1.94

Atom	x (Å)	y (Å)
N1	0.029	1.344
C2	0.000	0.180
O3	-0.119	-1.117
H4	0.752	-1.547

	N1	C2	O3	H4
N1		1.1647	2.4659	2.9799
C2	1.1647		1.3026	1.8831
O3	2.4659	1.3026		0.9711
H4	2.9799	1.8831	0.9711

Number	Element	Mulliken
1	N	-0.358
2	C	0.497
3	O	-0.531
4	H	0.392

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

using model chemistry: B3LYPultrafine/6-31+G**

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
	1.612	-3.678	0.000	4.016
CHELPG
AIM
ESP

	x	y	z
x	2.083	-0.075	0.000
y	-0.075	4.743	0.004
z	0.000	0.004	1.938

<r²>	36.614
(<r²>)^1/2	6.051