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	hartrees
Energy at 0K	-166.779587
Energy at 298.15K	-166.780565
Nuclear repulsion energy	58.283074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3833	3460	167.69
2	A'	2591	2339	83.38
3	A'	1346	1215	145.63
4	A'	1111	1003	85.58
5	A'	494	445	23.65
6	A"	528	477	17.28

Atom	x (Å)	y (Å)
N1	0.162	1.321
C2	0.000	0.193
O3	-0.216	-1.097
H4	0.592	-1.635

	N1	C2	O3	H4
N1		1.1397	2.4476	2.9871
C2	1.1397		1.3080	1.9213
O3	2.4476	1.3080		0.9703
H4	2.9871	1.9213	0.9703

Number	Element	Mulliken
1	N	-0.429
2	C	0.683
3	O	-0.703
4	H	0.449

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

using model chemistry: HF/3-21G*

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
	1.624	-3.543	0.000	3.897
CHELPG
AIM
ESP

	x	y	z
x	1.255	0.041	0.000
y	0.041	3.503	0.000
z	0.000	0.000	0.919

<r²>	0.000
(<r²>)^1/2	0.000