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	hartrees
Energy at 0K	-168.630928
Energy at 298.15K	-168.631813
Nuclear repulsion energy	57.845219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3695	3540	119.92
2	A'	2389	2288	105.99
3	A'	1256	1203	110.40
4	A'	1102	1055	62.98
5	A'	433	414	14.95
6	A"	488	467	3.30

Atom	x (Å)	y (Å)
N1	0.061	1.343
C2	0.000	0.180
O3	-0.145	-1.116
H4	0.728	-1.550

	N1	C2	O3	H4
N1		1.1646	2.4681	2.9689
C2	1.1646		1.3046	1.8770
O3	2.4681	1.3046		0.9742
H4	2.9689	1.8770	0.9742

Number	Element	Mulliken
1	N	-0.392
2	C	0.477
3	O	-0.542
4	H	0.457

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

using model chemistry: B3LYPultrafine/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
	1.522	-3.584	0.000	3.894
CHELPG
AIM
ESP

	x	y	z
x	1.667	-0.078	0.000
y	-0.078	4.079	0.000
z	0.000	0.000	1.389

<r²>	0.000
(<r²>)^1/2	0.000