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	hartrees
Energy at 0K	-168.518984
Energy at 298.15K	-168.519809
Nuclear repulsion energy	57.415841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3687	3490	119.48
2	A'	2359	2233	89.31
3	A'	1219	1154	102.72
4	A'	1056	1000	109.07
5	A'	409	387	19.26
6	A"	448	424	0.76

Atom	x (Å)	y (Å)
N1	-0.004	1.357
C2	0.000	0.184
O3	-0.092	-1.126
H4	0.763	-1.596

	N1	C2	O3	H4
N1		1.1728	2.4843	3.0508
C2	1.1728		1.3132	1.9367
O3	2.4843	1.3132		0.9755
H4	3.0508	1.9367	0.9755

Number	Element	Mulliken
1	N	-0.204
2	C	0.350
3	O	-0.588
4	H	0.441

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

using model chemistry: mPW1PW91/6-31G

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
	1.992	-3.433	0.000	3.969
CHELPG
AIM
ESP

	x	y	z
x	1.511	-0.221	0.000
y	-0.221	4.199	0.000
z	0.000	0.000	1.182

<r²>	0.000
(<r²>)^1/2	0.000