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	hartrees
Energy at 0K	-32.049308
Energy at 298.15K	-32.050221
Nuclear repulsion energy	30.304149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3813	3649	148.15
2	A'	2390	2287	154.52
3	A'	1231	1178	118.61
4	A'	1118	1070	66.43
5	A'	449	430	15.70
6	A"	507	485	1.84

Atom	x (Å)	y (Å)
N1	0.065	1.356
C2	0.000	0.176
O3	-0.148	-1.125
H4	0.727	-1.552

	N1	C2	O3	H4
N1		1.1817	2.4904	2.9828
C2	1.1817		1.3098	1.8752
O3	2.4904	1.3098		0.9736
H4	2.9828	1.8752	0.9736

Number	Element	Mulliken
1	N	0.275
2	C	-0.459
3	O	-0.265
4	H	0.449

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

using model chemistry: B1B95/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
	1.566	-3.649	0.000	3.971
CHELPG
AIM
ESP

	x	y	z
x	1.882	-0.053	0.000
y	-0.053	4.233	0.000
z	0.000	0.000	1.635

<r²>	0.000
(<r²>)^1/2	0.000