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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	-168.110325
Energy at 298.15K	-168.110984
HF Energy	-167.628124
Nuclear repulsion energy	60.300666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3587	3366	260.42
2	Σ	2415	2266	346.77
3	Σ	1325	1243	174.17
4	Π	581	545	0.07
4	Π	581	545	0.07
5	Π	300	281	89.48
5	Π	300	281	89.48

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.187
N2	0.000	0.000	-0.023
C3	0.000	0.000	-1.181
H4	0.000	0.000	-2.244

	O1	N2	C3	H4
O1		1.2100	2.3676	3.4308
N2	1.2100		1.1576	2.2208
C3	2.3676	1.1576		1.0632
H4	3.4308	2.2208	1.0632

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

using model chemistry: MP3=FULL/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'	3587	3365	260.52
2	A'	2415	2266	345.97
3	A'	1324	1243	174.41
4	A'	581	545	0.08
5	A'	302	283	89.43
6	A"	580	544	0.98

Atom	x (Å)	y (Å)
O1	-0.006	-1.187
N2	0.000	0.024
C3	0.006	1.181
H4	0.010	2.244

	O1	N2	C3	H4
O1		1.2105	2.3679	3.4309
N2	1.2105		1.1574	2.2204
C3	2.3679	1.1574		1.0630
H4	3.4309	2.2204	1.0630