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	hartrees
Energy at 0K	-168.601712
Energy at 298.15K
HF Energy	-168.601712
Nuclear repulsion energy	60.205531

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	3504	3504	268.94	32.36	0.22	0.36
2	Σ	2318	2318	406.88	50.18	0.06	0.12
3	Σ	1286	1286	135.36	24.07	0.18	0.31
4	Π	545	545	4.42	0.17	0.75	0.86
4	Π	545	545	4.42	0.17	0.75	0.86
5	Π	117	117	69.25	4.38	0.75	0.86
5	Π	117	117	69.25	4.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.187
N2	0.000	0.000	-0.020
C3	0.000	0.000	-1.185
H4	0.000	0.000	-2.251

	O1	N2	C3	H4
O1		1.2078	2.3720	3.4380
N2	1.2078		1.1642	2.2302
C3	2.3720	1.1642		1.0660
H4	3.4380	2.2302	1.0660

Number	Element	Mulliken
1	O	-1.173
2	N	2.410
3	C	-0.165
4	H	-1.072

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

using model chemistry: B3LYP/daug-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>	34.806
(<r²>)^1/2	5.900