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	hartrees
Energy at 0K	-32.078954
Energy at 298.15K	-32.079823
Nuclear repulsion energy	30.183556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3744	3616	124.18
2	A'	2357	2277	137.61
3	A'	1245	1203	111.84
4	A'	1080	1043	61.81
5	A'	426	411	13.86
6	A"	482	465	0.99

Atom	x (Å)	y (Å)
N1	0.052	1.361
C2	0.000	0.180
O3	-0.139	-1.132
H4	0.747	-1.547

	N1	C2	O3	H4
N1		1.1822	2.5002	2.9901
C2	1.1822		1.3191	1.8819
O3	2.5002	1.3191		0.9787
H4	2.9901	1.8819	0.9787

Number	Element	Mulliken
1	N	0.264
2	C	-0.439
3	O	-0.267
4	H	0.442

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

using model chemistry: B3LYP/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
	1.581	-3.597	0.000	3.929
CHELPG
AIM
ESP

	x	y	z
x	1.940	-0.091	0.000
y	-0.091	4.299	0.000
z	0.000	0.000	1.669

<r²>	0.000
(<r²>)^1/2	0.000