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	hartrees
Energy at 0K	-32.024677
Energy at 298.15K	-32.025514
Nuclear repulsion energy	29.880137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3631	3538	87.48
2	A'	2241	2184	84.26
3	A'	1180	1150	108.48
4	A'	994	969	94.13
5	A'	416	405	18.50
6	A"	458	446	0.00

Atom	x (Å)	y (Å)
N1	-0.050	1.375
C2	0.000	0.189
O3	-0.059	-1.147
H4	0.822	-1.582

	N1	C2	O3	H4
N1		1.1871	2.5222	3.0828
C2	1.1871		1.3375	1.9523
O3	2.5222	1.3375		0.9824
H4	3.0828	1.9523	0.9824

Number	Element	Mulliken
1	N	0.171
2	C	-0.269
3	O	-0.312
4	H	0.410

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
	2.097	-3.361	0.000	3.962
CHELPG
AIM
ESP

	x	y	z
x	1.848	-0.329	0.000
y	-0.329	4.541	0.000
z	0.000	0.000	1.529

<r²>	0.000
(<r²>)^1/2	0.000