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	hartrees
Energy at 0K	-167.744994
Energy at 298.15K	-167.745878
Nuclear repulsion energy	57.946213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3689	3620	141.82
2	A'	2366	2322	107.08
3	A'	1171	1150	49.53
4	A'	1120	1099	128.57
5	A'	433	425	16.00
6	A"	487	478	1.90

Atom	x (Å)	y (Å)
N1	0.064	1.343
C2	0.000	0.173
O3	-0.147	-1.110
H4	0.725	-1.557

	N1	C2	O3	H4
N1		1.1719	2.4615	2.9738
C2	1.1719		1.2907	1.8751
O3	2.4615	1.2907		0.9791
H4	2.9738	1.8751	0.9791

Number	Element	Mulliken
1	N	-0.367
2	C	0.421
3	O	-0.441
4	H	0.387

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

using model chemistry: LSDA/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
	1.512	-3.743	0.000	4.037
CHELPG
AIM
ESP

	x	y	z
x	1.687	-0.073	0.000
y	-0.073	4.203	0.000
z	0.000	0.000	1.415

<r²>	0.000
(<r²>)^1/2	0.000