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	hartrees
Energy at 0K	-166.204988
Energy at 298.15K	-166.205664
Nuclear repulsion energy	55.045632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3240	4.19
2	A'	2280	2083	6.81
3	A'	1347	1231	47.01
4	A'	1002	916	20.70
5	A'	390	356	9.18
6	A"	422	386	0.08

Atom	x (Å)	y (Å)
N1	-0.183	1.396
C2	0.000	0.189
O3	0.029	-1.188
H4	1.046	-1.402

	N1	C2	O3	H4
N1		1.2205	2.5918	3.0562
C2	1.2205		1.3768	1.9045
O3	2.5918	1.3768		1.0394
H4	3.0562	1.9045	1.0394

Number	Element	Mulliken
1	N	-0.190
2	C	0.096
3	O	-0.152
4	H	0.245

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

using model chemistry: PBEPBE/STO-3G

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
	1.748	-2.686	0.000	3.205
CHELPG
AIM
ESP

	x	y	z
x	1.067	-0.593	0.000
y	-0.593	2.907	0.000
z	0.000	0.000	0.472

<r²>	0.000
(<r²>)^1/2	0.000