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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	-168.127221
Energy at 298.15K
HF Energy	-167.642077
Nuclear repulsion energy	60.228224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3529	3376	271.38
2	Σ	2346	2244	425.85
3	Σ	1331	1273	146.06
4	Π	577	552	0.27
4	Π	577	552	0.27
5	Π	22i	22i	82.40
5	Π	22i	22i	82.40

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.185
N2	0.000	0.000	-0.015
C3	0.000	0.000	-1.186
H4	0.000	0.000	-2.259

	O1	N2	C3	H4
O1		1.2006	2.3708	3.4443
N2	1.2006		1.1702	2.2437
C3	2.3708	1.1702		1.0735
H4	3.4443	2.2437	1.0735

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

using model chemistry: CCD/cc-pVDZ

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'	3529	3376	270.72
2	A'	2346	2244	426.30
3	A'	1331	1273	145.72
4	A'	577	552	0.30
5	A'	33	32	83.37
6	A"	577	552	0.27

Atom	x (Å)	y (Å)
O1	-0.163	-1.174
N2	0.000	0.016
C3	0.171	1.173
H4	0.281	2.241

	O1	N2	C3	H4
O1		1.2005	2.3708	3.4438
N2	1.2005		1.1703	2.2433
C3	2.3708	1.1703		1.0736
H4	3.4438	2.2433	1.0736