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	hartrees
Energy at 0K	-166.370221
Energy at 298.15K	-166.370919
Nuclear repulsion energy	55.446951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3679	3283	5.51
2	A'	2362	2108	6.23
3	A'	1398	1247	51.15
4	A'	1017	907	19.79
5	A'	398	355	9.67
6	A"	429	383	0.15

Atom	x (Å)	y (Å)
N1	-0.140	1.389
C2	0.000	0.192
O3	-0.002	-1.182
H4	0.997	-1.427

	N1	C2	O3	H4
N1		1.2050	2.5744	3.0371
C2	1.2050		1.3739	1.9017
O3	2.5744	1.3739		1.0288
H4	3.0371	1.9017	1.0288

Number	Element	Mulliken
1	N	-0.194
2	C	0.124
3	O	-0.175
4	H	0.246

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

using model chemistry: B3LYP/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
	1.695	-2.638	0.000	3.136
CHELPG
AIM
ESP

	x	y	z
x	1.023	-0.526	0.000
y	-0.526	2.832	0.000
z	0.000	0.000	0.467

<r²>	0.000
(<r²>)^1/2	0.000