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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	-167.671515
Energy at 298.15K
HF Energy	-167.671515
Nuclear repulsion energy	61.516013

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	3664	3314	279.28	8.85	0.27	0.42
2	Σ	2507	2267	405.08	83.39	0.18	0.30
3	Σ	1315	1189	287.48	4.73	0.33	0.50
4	Π	644	582	10.65	3.11	0.75	0.86
4	Π	644	582	10.65	3.11	0.75	0.86
5	Π	588	532	76.35	3.77	0.75	0.86
5	Π	588	532	76.35	3.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.165
N2	0.000	0.000	-0.027
C3	0.000	0.000	-1.154
H4	0.000	0.000	-2.208

	O1	N2	C3	H4
O1		1.1915	2.3184	3.3725
N2	1.1915		1.1269	2.1811
C3	2.3184	1.1269		1.0542
H4	3.3725	2.1811	1.0542

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

using model chemistry: HF/6-311G*

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'	3665	3315	279.13
2	A'	2506	2267	406.62
3	A'	1316	1190	287.37
4	A'	644	583	10.42
5	A'	586	530	76.66
6	A"	643	581	20.20

Atom	x (Å)	y (Å)
O1	-0.002	-1.165
N2	0.000	0.027
C3	0.002	1.154
H4	0.005	2.208

	O1	N2	C3	H4
O1		1.1912	2.3183	3.3723
N2	1.1912		1.1271	2.1811
C3	2.3183	1.1271		1.0540
H4	3.3723	2.1811	1.0540

Number	Element	Mulliken
1	O	-0.500
2	N	0.122
3	C	0.013
4	H	0.366

	x	y	z	Total
	0.000	0.000	-4.279	4.279
CHELPG
AIM
ESP

<r²>	33.565
(<r²>)^1/2	5.793

Number	Element	Mulliken
1	O	-0.500
2	N	0.122
3	C	0.012
4	H	0.366