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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	-168.293909
Energy at 298.15K	-168.294633
HF Energy	-167.698501
Nuclear repulsion energy	60.687321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3517	3366	278.75
2	Σ	2338	2238	483.97
3	Σ	1300	1244	188.98
4	Π	576	551	2.38
4	Π	576	551	2.38
5	Π	323	309	64.60
5	Π	323	309	64.60

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.178
N2	0.000	0.000	-0.021
C3	0.000	0.000	-1.174
H4	0.000	0.000	-2.234

	O1	N2	C3	H4
O1		1.1999	2.3526	3.4120
N2	1.1999		1.1527	2.2121
C3	2.3526	1.1527		1.0594
H4	3.4120	2.2121	1.0594

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

using model chemistry: CCD/aug-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'	3517	3366	278.74
2	A'	2338	2238	483.87
3	A'	1300	1244	189.02
4	A'	576	551	2.38
5	A'	323	309	64.61
6	A"	555	532	1.17

Atom	x (Å)	y (Å)
O1	-0.000	-1.179
N2	0.000	0.021
C3	0.000	1.174
H4	0.001	2.234

	O1	N2	C3	H4
O1		1.1999	2.3526	3.4121
N2	1.1999		1.1527	2.2121
C3	2.3526	1.1527		1.0594
H4	3.4121	2.2121	1.0594