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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	-168.170941
Energy at 298.15K	-168.171048
HF Energy	-167.653462
Nuclear repulsion energy	59.704522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3497	3388	248.73
2	Σ	2289	2217	348.49
3	Σ	1231	1193	135.34
4	Π	527	511	5.51
4	Π	527	511	5.51
5	Π	129	125	60.60
5	Π	129	125	60.60

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.198
N2	0.000	0.000	-0.023
C3	0.000	0.000	-1.193
H4	0.000	0.000	-2.266

	O1	N2	C3	H4
O1		1.2213	2.3918	3.4647
N2	1.2213		1.1705	2.2434
C3	2.3918	1.1705		1.0729
H4	3.4647	2.2434	1.0729

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

using model chemistry: QCISD/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	A'	3497	3388	248.71
2	A'	2289	2217	348.54
3	A'	1231	1193	135.33
4	A'	527	511	5.51
5	A'	129	125	60.60
6	A"	527	510	6.74

Atom	x (Å)	y (Å)
O1	-0.004	-1.198
N2	0.000	0.023
C3	0.004	1.193
H4	0.007	2.266

	O1	N2	C3	H4
O1		1.2212	2.3918	3.4647
N2	1.2212		1.1705	2.2434
C3	2.3918	1.1705		1.0729
H4	3.4647	2.2434	1.0729