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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	-168.126054
Energy at 298.15K	-168.126867
HF Energy	-167.670014
Nuclear repulsion energy	60.872840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3583	3316	265.03
2	Σ	2404	2225	415.38
3	Σ	1334	1234	181.47
4	Π	600	555	0.04
4	Π	600	555	0.04
5	Π	353	327	91.90
5	Π	353	327	91.90

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.174
N2	0.000	0.000	-0.020
C3	0.000	0.000	-1.171
H4	0.000	0.000	-2.230

	O1	N2	C3	H4
O1		1.1948	2.3451	3.4043
N2	1.1948		1.1503	2.2094
C3	2.3451	1.1503		1.0592
H4	3.4043	2.2094	1.0592

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

using model chemistry: CISD/6-311G*

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'	3583	3316	265.08
2	A'	2405	2225	415.30
3	A'	1334	1234	181.51
4	A'	600	555	0.04
5	A'	353	327	91.88
6	A"	588	544	4.74

Atom	x (Å)	y (Å)
O1	-0.000	-1.174
N2	0.000	0.020
C3	0.000	1.171
H4	0.001	2.230

	O1	N2	C3	H4
O1		1.1948	2.3450	3.4042
N2	1.1948		1.1502	2.2094
C3	2.3450	1.1502		1.0592
H4	3.4042	2.2094	1.0592