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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	-168.194898
Energy at 298.15K	-168.195363
HF Energy	-167.687646
Nuclear repulsion energy	60.601864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3553	3368	272.49
2	Σ	2347	2225	464.26
3	Σ	1296	1228	189.39
4	Π	534	506	3.42
4	Π	534	506	3.42
5	Π	243	230	80.20
5	Π	243	230	80.20

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.180
N2	0.000	0.000	-0.022
C3	0.000	0.000	-1.176
H4	0.000	0.000	-2.235

	O1	N2	C3	H4
O1		1.2019	2.3561	3.4156
N2	1.2019		1.1542	2.2137
C3	2.3561	1.1542		1.0595
H4	3.4156	2.2137	1.0595

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

using model chemistry: CCD/TZVP

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'	3553	3368	272.47
2	A'	2347	2225	464.18
3	A'	1295	1228	189.42
4	A'	534	506	3.42
5	A'	243	230	80.20
6	A"	521	494	0.20

Atom	x (Å)	y (Å)
O1	-0.000	-1.180
N2	0.000	0.022
C3	0.000	1.176
H4	0.000	2.235

	O1	N2	C3	H4
O1		1.2020	2.3562	3.4157
N2	1.2020		1.1542	2.2137
C3	2.3562	1.1542		1.0595
H4	3.4157	2.2137	1.0595