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	hartrees
Energy at 0K	-168.553832
Energy at 298.15K
HF Energy	-168.553832
Nuclear repulsion energy	60.513512

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	3530	3530	269.71	30.53	0.22	0.35
2	Σ	2363	2363	430.84	53.42	0.06	0.12
3	Σ	1328	1328	138.53	24.16	0.18	0.30
4	Π	562	562	3.77	0.18	0.75	0.86
4	Π	562	562	3.77	0.18	0.75	0.86
5	Π	184	184	71.07	4.49	0.75	0.86
5	Π	184	184	71.07	4.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.181
N2	0.000	0.000	-0.018
C3	0.000	0.000	-1.179
H4	0.000	0.000	-2.244

	O1	N2	C3	H4
O1		1.1985	2.3596	3.4249
N2	1.1985		1.1611	2.2264
C3	2.3596	1.1611		1.0653
H4	3.4249	2.2264	1.0653

Number	Element	Mulliken
1	O	-1.263
2	N	2.380
3	C	-0.256
4	H	-0.860

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

using model chemistry: mPW1PW91/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>	34.461
(<r²>)^1/2	5.870