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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	-31.320363
Energy at 298.15K
HF Energy	-31.320363
Nuclear repulsion energy	31.922759

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	3658	3304	278.06	8.99	0.24	0.39
2	Σ	2477	2238	350.32	109.51	0.17	0.29
3	Σ	1244	1124	273.01	3.00	0.27	0.42
4	Π	610	551	87.45	7.65	0.75	0.86
4	Π	610	551	87.45	7.65	0.75	0.86
5	Π	601	543	0.34	1.01	0.75	0.86
5	Π	601	543	0.34	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.184
N2	0.000	0.000	-0.035
C3	0.000	0.000	-1.167
H4	0.000	0.000	-2.225

	O1	N2	C3	H4
O1		1.2182	2.3503	3.4089
N2	1.2182		1.1321	2.1907
C3	2.3503	1.1321		1.0585
H4	3.4089	2.1907	1.0585

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

using model chemistry: HF/CEP-121G*

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	Σ	3657	3304	278.11
2	Σ	2477	2238	350.14
3	Σ	1244	1124	273.01
4	Π	611	552	87.57
4	Π	611	552	87.57
5	Π	601	543	0.21
5	Π	601	543	0.21

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-1.184
N2	0.000	0.000	0.035
C3	0.000	0.000	1.167
H4	0.000	0.000	2.225

Number	Element	Mulliken
1	O	-0.475
2	N	0.400
3	C	-0.269
4	H	0.344

	x	y	z	Total
	0.000	0.000	-4.561	4.561
CHELPG
AIM
ESP

<r²>	28.600
(<r²>)^1/2	5.348

Number	Element	Mulliken
1	O	-0.475
2	N	0.400
3	C	-0.269
4	H	0.344