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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	-168.055324
Energy at 298.15K	-168.056163
HF Energy	-167.628893
Nuclear repulsion energy	60.476946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3623	3346	266.88
2	Σ	2435	2249	357.49
3	Σ	1333	1231	176.53
4	Π	592	547	0.07
4	Π	592	547	0.07
5	Π	375	346	87.53
5	Π	375	346	87.53

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.184
N2	0.000	0.000	-0.024
C3	0.000	0.000	-1.177
H4	0.000	0.000	-2.237

	O1	N2	C3	H4
O1		1.2082	2.3607	3.4212
N2	1.2082		1.1525	2.2130
C3	2.3607	1.1525		1.0605
H4	3.4212	2.2130	1.0605

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

using model chemistry: CID/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'	3622	3346	266.98
2	A'	2435	2250	357.00
3	A'	1333	1231	176.68
4	A'	592	547	0.08
5	A'	376	348	87.49
6	A"	591	546	0.61

Atom	x (Å)	y (Å)
O1	-0.005	-1.184
N2	0.000	0.025
C3	0.005	1.177
H4	0.008	2.237

	O1	N2	C3	H4
O1		1.2083	2.3607	3.4213
N2	1.2083		1.1524	2.2130
C3	2.3607	1.1524		1.0606
H4	3.4213	2.2130	1.0606