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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	-168.099205
Energy at 298.15K	-168.099730
HF Energy	-167.627912
Nuclear repulsion energy	60.241411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3585	3365	259.89
2	Σ	2408	2260	344.30
3	Σ	1321	1240	174.00
4	Π	574	539	0.24
4	Π	574	539	0.24
5	Π	251	235	89.31
5	Π	251	235	89.31

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.188
N2	0.000	0.000	-0.024
C3	0.000	0.000	-1.182
H4	0.000	0.000	-2.246

	O1	N2	C3	H4
O1		1.2117	2.3703	3.4336
N2	1.2117		1.1586	2.2219
C3	2.3703	1.1586		1.0633
H4	3.4336	2.2219	1.0633

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

using model chemistry: MP3/6-31G*

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'	3584	3364	259.96
2	A'	2408	2260	343.13
3	A'	1319	1238	174.33
4	A'	574	539	0.25
5	A'	253	238	89.22
6	A"	565	530	5.86

Atom	x (Å)	y (Å)
O1	-0.003	-1.188
N2	0.000	0.024
C3	0.004	1.182
H4	0.006	2.246

	O1	N2	C3	H4
O1		1.2120	2.3705	3.4338
N2	1.2120		1.1584	2.2218
C3	2.3705	1.1584		1.0633
H4	3.4338	2.2218	1.0633