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	hartrees
Energy at 0K	-168.603579
Energy at 298.15K	-168.604561
Nuclear repulsion energy	58.332515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3831	3658	150.84
2	A'	2425	2315	119.73
3	A'	1254	1197	92.79
4	A'	1130	1079	68.82
5	A'	484	462	15.33
6	A"	545	520	5.76

Atom	x (Å)	y (Å)
N1	0.093	1.331
C2	0.000	0.178
O3	-0.167	-1.104
H4	0.688	-1.549

	N1	C2	O3	H4
N1		1.1565	2.4483	2.9407
C2	1.1565		1.2925	1.8590
O3	2.4483	1.2925		0.9641
H4	2.9407	1.8590	0.9641

Number	Element	Mulliken
1	N	-0.392
2	C	0.423
3	O	-0.395
4	H	0.364

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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
	1.289	-3.706	0.000	3.924
CHELPG
AIM
ESP

	x	y	z
x	1.964	-0.017	0.000
y	-0.017	4.090	0.000
z	0.000	0.000	1.768

<r²>	0.000
(<r²>)^1/2	0.000