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	hartrees
Energy at 0K	-168.415207
Energy at 298.15K
HF Energy	-168.415207
Nuclear repulsion energy	60.088238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3463	3428	228.85	29.89	0.24	0.39
2	Σ	2312	2288	273.27	14.05	0.16	0.28
3	Σ	1296	1283	73.09	22.42	0.24	0.39
4	Π	561	555	1.52	0.72	0.75	0.86
4	Π	561	555	1.52	0.72	0.75	0.86
5	Π	280i	277i	74.28	1.25	0.75	0.86
5	Π	280i	277i	74.28	1.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.188
N2	0.000	0.000	-0.016
C3	0.000	0.000	-1.189
H4	0.000	0.000	-2.256

	O1	N2	C3	H4
O1		1.2044	2.3777	3.4447
N2	1.2044		1.1734	2.2403
C3	2.3777	1.1734		1.0670
H4	3.4447	2.2403	1.0670

Number	Element	Mulliken
1	O	-0.398
2	N	0.390
3	C	-0.246
4	H	0.253

All results from a given calculation for HCNO (fulminic acid)

using model chemistry: PBEPBEultrafine/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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<r²>	34.498
(<r²>)^1/2	5.873