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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	-168.216721
Energy at 298.15K
HF Energy	-167.647628
Nuclear repulsion energy	60.515695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3547	3354	261.71
2	Σ	2363	2235	327.54
3	Σ	1298	1228	134.93
4	X_pi	587	555	0.99
4	X_pi	587	555	0.99
5	X_pi	185	175	66.51
5	X_pi	185	175	66.51

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.182
N2	0.000	0.000	-0.021
C3	0.000	0.000	-1.178
H4	0.000	0.000	-2.238

	O1	N2	C3	H4
O1		1.2030	2.3598	3.4196
N2	1.2030		1.1568	2.2166
C3	2.3598	1.1568		1.0598
H4	3.4196	2.2166	1.0598

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

using model chemistry: CCSD/6-31G(2df,p)

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'	3547	3354	261.72
2	A'	2363	2235	327.44
3	A'	1298	1228	134.98
4	A'	587	555	0.98
5	A'	185	175	66.51
6	A"	586	555	0.69

Atom	x (Å)	y (Å)
O1	-0.003	-1.182
N2	0.000	0.021
C3	0.003	1.178
H4	0.005	2.238