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	hartrees
Energy at 0K	-168.547140
Energy at 298.15K
HF Energy	-168.328074
Nuclear repulsion energy	60.470229

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	3519	3519	261.30	31.15	0.22	0.36
2	Σ	2282	2282	429.72	25.57	0.06	0.11
3	Σ	1286	1286	97.39	28.92	0.25	0.40
4	Π	560	560	2.81	0.14	0.75	0.86
4	Π	560	560	2.81	0.14	0.75	0.86
5	Π	11i	11i	78.54	5.75	0.75	0.86
5	Π	11i	11i	78.54	5.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.182
N2	0.000	0.000	-0.018
C3	0.000	0.000	-1.181
H4	0.000	0.000	-2.239

	O1	N2	C3	H4
O1		1.1998	2.3626	3.4205
N2	1.1998		1.1628	2.2207
C3	2.3626	1.1628		1.0578
H4	3.4205	2.2207	1.0578

Number	Element	Mulliken
1	O	-0.317
2	N	0.347
3	C	-0.265
4	H	0.235

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

using model chemistry: B2PLYP=FULLultrafine/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>	34.517
(<r²>)^1/2	5.875