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	hartrees
Energy at 0K	-168.460335
Energy at 298.15K
HF Energy	-168.280152
Nuclear repulsion energy	59.932660

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	3520	3387	270.51	38.87	0.22	0.36
2	Σ	2269	2183	427.65	31.21	0.04	0.07
3	Σ	1276	1228	97.95	33.78	0.21	0.34
4	Π	531	511	5.31	0.02	0.75	0.86
4	Π	531	511	5.31	0.02	0.75	0.86
5	Π	213i	205i	70.06	4.80	0.75	0.86
5	Π	213i	205i	70.06	4.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.192
N2	0.000	0.000	-0.018
C3	0.000	0.000	-1.192
H4	0.000	0.000	-2.259

	O1	N2	C3	H4
O1		1.2102	2.3840	3.4509
N2	1.2102		1.1738	2.2407
C3	2.3840	1.1738		1.0669
H4	3.4509	2.2407	1.0669

Number	Element	Mulliken
1	O	-0.616
2	N	0.365
3	C	0.429
4	H	-0.179

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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>	35.090
(<r²>)^1/2	5.924