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	hartrees
Energy at 0K	-168.459056
Energy at 298.15K
HF Energy	-168.459056
Nuclear repulsion energy	60.910579

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	3518	3518	269.58	25.67	0.22	0.36
2	Σ	2368	2368	436.83	41.80	0.09	0.16
3	Σ	1338	1338	136.53	21.24	0.25	0.40
4	Π	584	584	1.40	0.40	0.75	0.86
4	Π	584	584	1.40	0.40	0.75	0.86
5	Π	274	274	80.84	5.27	0.75	0.86
5	Π	274	274	80.84	5.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.173
N2	0.000	0.000	-0.017
C3	0.000	0.000	-1.171
H4	0.000	0.000	-2.233

	O1	N2	C3	H4
O1		1.1898	2.3438	3.4051
N2	1.1898		1.1540	2.2153
C3	2.3438	1.1540		1.0613
H4	3.4051	2.2153	1.0613

Number	Element	Mulliken
1	O	-0.327
2	N	0.437
3	C	-0.353
4	H	0.244

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

using model chemistry: PBE1PBE/Def2TZVPP

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>	34.084
(<r²>)^1/2	5.838