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	hartrees
Energy at 0K	-167.665657
Energy at 298.15K	-167.666508
Nuclear repulsion energy	56.541220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3262	34.24
2	A'	2217	2205	40.91
3	A'	1223	1216	93.82
4	A'	972	966	71.78
5	A'	438	435	17.69
6	A"	461	458	0.37

Atom	x (Å)	y (Å)
N1	0.070	1.371
C2	0.000	0.188
O3	-0.155	-1.140
H4	0.745	-1.603

	N1	C2	O3	H4
N1		1.1847	2.5212	3.0497
C2	1.1847		1.3375	1.9402
O3	2.5212	1.3375		1.0117
H4	3.0497	1.9402	1.0117

Number	Element	Mulliken
1	N	-0.381
2	C	0.507
3	O	-0.513
4	H	0.387

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

using model chemistry: BLYP/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
	1.669	-3.314	0.000	3.710
CHELPG
AIM
ESP

	x	y	z
x	1.450	-0.165	0.000
y	-0.165	4.055	0.000
z	0.000	0.000	1.026

<r²>	0.000
(<r²>)^1/2	0.000