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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	-168.160565
Energy at 298.15K	-168.160988
HF Energy	-167.654521
Nuclear repulsion energy	60.018373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3507	3382	271.22
2	Σ	2311	2229	474.73
3	Σ	1291	1245	180.68
4	Π	544	525	3.83
4	Π	544	525	3.83
5	Π	222	214	64.42
5	Π	222	214	64.42

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.191
N2	0.000	0.000	-0.020
C3	0.000	0.000	-1.188
H4	0.000	0.000	-2.260

	O1	N2	C3	H4
O1		1.2111	2.3789	3.4512
N2	1.2111		1.1678	2.2401
C3	2.3789	1.1678		1.0722
H4	3.4512	2.2401	1.0722

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

using model chemistry: CCD/aug-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	Σ	3507	3382	271.23
2	Σ	2311	2229	474.78
3	Σ	1291	1245	180.67
4	Π	544	525	3.83
4	Π	544	525	3.83
5	Π	222	214	64.41
5	Π	222	214	64.41

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-1.191
N2	0.000	0.000	0.020
C3	0.000	0.000	1.188
H4	0.000	0.000	2.260

	O1	N2	C3	H4
O1		1.2111	2.3789	3.4511
N2	1.2111		1.1678	2.2401
C3	2.3789	1.1678		1.0722
H4	3.4511	2.2401	1.0722