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	hartrees
Energy at 0K	-168.545946
Energy at 298.15K	-168.546685
Nuclear repulsion energy	56.493493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3444	3418	55.87
2	A'	2208	2192	62.32
3	A'	1181	1172	95.78
4	A'	975	967	85.02
5	A'	374	371	16.81
6	A"	411	408	0.04

Atom	x (Å)	y (Å)
N1	-0.053	1.377
C2	0.000	0.187
O3	-0.058	-1.148
H4	0.837	-1.577

	N1	C2	O3	H4
N1		1.1911	2.5250	3.0856
C2	1.1911		1.3364	1.9530
O3	2.5250	1.3364		0.9929
H4	3.0856	1.9530	0.9929

Number	Element	Mulliken
1	N	-0.165
2	C	0.258
3	O	-0.500
4	H	0.408

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

using model chemistry: BLYP/6-31G

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
	2.016	-3.285	0.000	3.854
CHELPG
AIM
ESP

	x	y	z
x	1.626	-0.367	0.000
y	-0.367	4.437	0.000
z	0.000	0.000	1.211

<r²>	0.000
(<r²>)^1/2	0.000