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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	-167.031093
Energy at 298.15K
HF Energy	-166.668463
Nuclear repulsion energy	58.585911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3546	3385	218.39	36.62	0.23	0.38
2	Σ	2068	1974	352.76	2.61	0.09	0.17
3	Σ	1170	1117	62.31	24.21	0.34	0.51
4	Π	524	500	2.63	0.04	0.75	0.86
4	Π	524	500	2.63	0.04	0.75	0.86
5	Π	251	240	117.11	2.53	0.75	0.86
5	Π	251	240	117.11	2.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.222
N2	0.000	0.000	-0.023
C3	0.000	0.000	-1.222
H4	0.000	0.000	-2.282

	O1	N2	C3	H4
O1		1.2449	2.4435	3.5037
N2	1.2449		1.1986	2.2588
C3	2.4435	1.1986		1.0602
H4	3.5037	2.2588	1.0602

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

using model chemistry: MP2/3-21G

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	Σ	3546	3385	218.41
2	Σ	2068	1974	352.77
3	Σ	1170	1117	62.38
4	Π	524	500	2.63
4	Π	524	500	2.63
5	Π	252	240	117.10
5	Π	252	240	117.10