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	hartrees
Energy at 0K	-168.657359
Energy at 298.15K
HF Energy	-168.657359
Nuclear repulsion energy	60.668724

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	3495	3386	264.42	30.97	0.22	0.36
2	Σ	2320	2248	427.07	50.16	0.06	0.11
3	Σ	1289	1249	141.70	23.81	0.19	0.32
4	Π	564	546	2.50	0.21	0.75	0.86
4	Π	564	546	2.50	0.21	0.75	0.86
5	Π	243	235	70.91	4.62	0.75	0.86
5	Π	243	235	70.91	4.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.179
N2	0.000	0.000	-0.021
C3	0.000	0.000	-1.175
H4	0.000	0.000	-2.234

	O1	N2	C3	H4
O1		1.1994	2.3536	3.4126
N2	1.1994		1.1541	2.2132
C3	2.3536	1.1541		1.0591
H4	3.4126	2.2132	1.0591

Number	Element	Mulliken
1	O	-0.491
2	N	0.099
3	C	-0.131
4	H	0.523

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

using model chemistry: B3LYP/aug-cc-pVQZ

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>	34.400
(<r²>)^1/2	5.865