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	hartrees
Energy at 0K	-168.450297
Energy at 298.15K
HF Energy	-168.450297
Nuclear repulsion energy	60.913521

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	3510	3510	274.43	27.53	0.23	0.37
2	Σ	2368	2368	451.60	50.93	0.06	0.11
3	Σ	1338	1338	139.72	23.55	0.20	0.33
4	Π	584	584	1.97	0.30	0.75	0.86
4	Π	584	584	1.97	0.30	0.75	0.86
5	Π	281	281	73.90	5.14	0.75	0.86
5	Π	281	281	73.90	5.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.173
N2	0.000	0.000	-0.018
C3	0.000	0.000	-1.171
H4	0.000	0.000	-2.232

	O1	N2	C3	H4
O1		1.1902	2.3436	3.4051
N2	1.1902		1.1533	2.2148
C3	2.3436	1.1533		1.0615
H4	3.4051	2.2148	1.0615

Number	Element	Mulliken
1	O	-0.671
2	N	-0.049
3	C	0.449
4	H	0.271

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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>	34.137
(<r²>)^1/2	5.843