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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	-168.115289
Energy at 298.15K
HF Energy	-167.625945
Nuclear repulsion energy	59.760862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3542	3373	223.30
2	Σ	2343	2232	245.31
3	Σ	1252	1192	107.18
4	Π	551	525	0.98
4	Π	551	525	0.98
5	Π	38i	37i	81.04
5	Π	38i	37i	81.04

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.196
N2	0.000	0.000	-0.024
C3	0.000	0.000	-1.191
H4	0.000	0.000	-2.257

	O1	N2	C3	H4
O1		1.2203	2.3870	3.4534
N2	1.2203		1.1667	2.2331
C3	2.3870	1.1667		1.0664
H4	3.4534	2.2331	1.0664

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

using model chemistry: QCISD/6-31G*

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'	3541	3372	222.42
2	A'	2343	2231	245.76
3	A'	1252	1192	106.86
4	A'	551	525	1.05
5	A'	45	43	82.27
6	A"	551	525	0.99

Atom	x (Å)	y (Å)
O1	-0.122	-1.192
N2	0.000	0.026
C3	0.130	1.185
H4	0.196	2.249

	O1	N2	C3	H4
O1		1.2237	2.3901	3.4557
N2	1.2237		1.1665	2.2320
C3	2.3901	1.1665		1.0662
H4	3.4557	2.2320	1.0662