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	hartrees
Energy at 0K	-31.987162
Energy at 298.15K	-31.988019
Nuclear repulsion energy	29.923677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3737	3578	120.66
2	A'	2300	2202	96.33
3	A'	1165	1115	83.99
4	A'	1025	981	143.66
5	A'	432	413	20.84
6	A"	475	455	0.27

Atom	x (Å)	y (Å)
N1	-0.033	1.376
C2	0.000	0.184
O3	-0.070	-1.142
H4	0.797	-1.600

	N1	C2	O3	H4
N1		1.1917	2.5178	3.0897
C2	1.1917		1.3282	1.9547
O3	2.5178	1.3282		0.9812
H4	3.0897	1.9547	0.9812

Number	Element	Mulliken
1	N	0.272
2	C	-0.418
3	O	-0.273
4	H	0.419

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

using model chemistry: B1B95/CEP-31G

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
	2.105	-3.505	0.000	4.089
CHELPG
AIM
ESP

	x	y	z
x	1.746	-0.285	0.000
y	-0.285	4.346	0.000
z	0.000	0.000	1.423

<r²>	0.000
(<r²>)^1/2	0.000