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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	-168.331699
Energy at 298.15K	-168.332181
HF Energy	-167.695630
Nuclear repulsion energy	60.795148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3531	3348	262.61
2	Σ	2350	2228	416.34
3	Σ	1298	1231	154.15
4	Π	588	558	0.83
4	Π	588	558	0.83
5	Π	223	211	73.02
5	Π	223	211	73.02

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.178
N2	0.000	0.000	-0.022
C3	0.000	0.000	-1.174
H4	0.000	0.000	-2.228

	O1	N2	C3	H4
O1		1.2004	2.3525	3.4065
N2	1.2004		1.1521	2.2061
C3	2.3525	1.1521		1.0540
H4	3.4065	2.2061	1.0540

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

using model chemistry: CCSD=FULL/cc-pVTZ

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'	3531	3347	262.63
2	A'	2349	2228	416.26
3	A'	1298	1231	154.17
4	A'	588	558	0.83
5	A'	223	212	73.01
6	A"	583	553	0.14

Atom	x (Å)	y (Å)
O1	-0.000	-1.176
N2	0.000	0.021
C3	0.000	1.173
H4	0.000	2.227

	O1	N2	C3	H4
O1		1.1967	2.3492	3.4034
N2	1.1967		1.1525	2.2067
C3	2.3492	1.1525		1.0541
H4	3.4034	2.2067	1.0541