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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	-168.206788
Energy at 298.15K	-168.206819
HF Energy	-167.686694
Nuclear repulsion energy	60.286405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3542	3384	251.05
2	Σ	2324	2220	344.60
3	Σ	1240	1185	140.48
4	Π	517	494	4.75
4	Π	517	494	4.75
5	Π	112	107	76.34
5	Π	112	107	76.34

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.187
N2	0.000	0.000	-0.024
C3	0.000	0.000	-1.182
H4	0.000	0.000	-2.242

	O1	N2	C3	H4
O1		1.2113	2.3689	3.4291
N2	1.2113		1.1576	2.2177
C3	2.3689	1.1576		1.0602
H4	3.4291	2.2177	1.0602

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

using model chemistry: QCISD/TZVP

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'	3542	3383	250.98
2	A'	2323	2219	344.17
3	A'	1240	1184	140.49
4	A'	517	494	4.75
5	A'	112	107	76.32
6	A"	495	473	22.04

Atom	x (Å)	y (Å)
O1	-0.002	-1.188
N2	0.000	0.024
C3	0.002	1.182
H4	0.004	2.242

	O1	N2	C3	H4
O1		1.2115	2.3692	3.4294
N2	1.2115		1.1576	2.2178
C3	2.3692	1.1576		1.0602
H4	3.4294	2.2178	1.0602