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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	¹Σ
1	2	no	CS	¹A^'

	hartrees
Energy at 0K	-167.542566
Energy at 298.15K
HF Energy	-167.542566
Nuclear repulsion energy	59.724958

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	3723	3361	267.30	15.06	0.18	0.31
2	Σ	2429	2193	134.35	80.98	0.22	0.36
3	Σ	1003	906	156.15	0.81	0.38	0.55
4	Π	713	644	105.93	4.19	0.75	0.86
4	Π	713	644	105.93	4.19	0.75	0.86
5	Π	507	458	0.01	1.52	0.75	0.86
5	Π	507	458	0.01	1.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.209
N2	0.000	0.000	-0.048
C3	0.000	0.000	-1.183
H4	0.000	0.000	-2.233

	O1	N2	C3	H4
O1		1.2563	2.3920	3.4420
N2	1.2563		1.1358	2.1858
C3	2.3920	1.1358		1.0500
H4	3.4420	2.1858	1.0500

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

using model chemistry: HF/6-31G

States and conformations

Conformer 1 (C*V)

Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3360	267.54
2	A'	2430	2194	134.36
3	A'	1004	907	156.29
4	A'	714	645	105.93
5	A'	507	458	0.01
6	A"	522	471	5.90

Atom	x (Å)	y (Å)
O1	-0.001	-1.208
N2	0.000	0.048
C3	0.001	1.183
H4	0.001	2.234

	O1	N2	C3	H4
O1		1.2561	2.3917	3.4419
N2	1.2561		1.1356	2.1858
C3	2.3917	1.1356		1.0502
H4	3.4419	2.1858	1.0502

Number	Element	Mulliken
1	O	-0.514
2	N	0.088
3	C	0.060
4	H	0.366

	x	y	z	Total
	0.000	0.000	-5.100	5.100
CHELPG
AIM
ESP

<r²>	35.100
(<r²>)^1/2	5.925

Number	Element	Mulliken
1	O	-0.514
2	N	0.088
3	C	0.060
4	H	0.366