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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	-167.884851
Energy at 298.15K	-167.885120
HF Energy	-167.538368
Nuclear repulsion energy	58.690040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3511	3369	201.06
2	Σ	2205	2116	229.30
3	Σ	1114	1068	132.16
4	Π	464	446	9.14
4	Π	464	446	9.14
5	Π	221	212	87.14
5	Π	221	212	87.14

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.224
N2	0.000	0.000	-0.036
C3	0.000	0.000	-1.211
H4	0.000	0.000	-2.279

	O1	N2	C3	H4
O1		1.2601	2.4355	3.5030
N2	1.2601		1.1754	2.2429
C3	2.4355	1.1754		1.0675
H4	3.5030	2.2429	1.0675

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

using model chemistry: CCD/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'	3511	3369	201.09
2	A'	2206	2117	229.59
3	A'	1114	1069	132.12
4	A'	464	446	9.14
5	A'	220	212	87.16
6	A"	327	313	86.92

Atom	x (Å)	y (Å)
O1	-0.019	-1.224
N2	0.000	0.036
C3	0.020	1.211
H4	0.036	2.278

	O1	N2	C3	H4
O1		1.2599	2.4353	3.5028
N2	1.2599		1.1754	2.2429
C3	2.4353	1.1754		1.0675
H4	3.5028	2.2429	1.0675