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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	-167.674835
Energy at 298.15K
HF Energy	-167.674835
Nuclear repulsion energy	61.531346

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	3655	3321	310.34	8.59	0.23	0.38
2	Σ	2506	2277	413.30	84.47	0.18	0.31
3	Σ	1317	1196	289.01	4.81	0.32	0.49
4	Π	646	587	23.48	4.26	0.75	0.86
4	Π	646	587	23.48	4.26	0.75	0.86
5	Π	610	554	58.78	2.00	0.75	0.86
5	Π	610	554	58.78	2.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.164
N2	0.000	0.000	-0.027
C3	0.000	0.000	-1.154
H4	0.000	0.000	-2.207

	O1	N2	C3	H4
O1		1.1910	2.3179	3.3713
N2	1.1910		1.1270	2.1803
C3	2.3179	1.1270		1.0534
H4	3.3713	2.1803	1.0534

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'	3656	3322	310.20
2	A'	2506	2276	414.85
3	A'	1318	1197	288.90
4	A'	646	587	22.45
5	A'	608	553	59.89
6	A"	646	587	13.72

Atom	x (Å)	y (Å)
O1	-0.002	-1.164
N2	0.000	0.026
C3	0.001	1.154
H4	0.004	2.207

	O1	N2	C3	H4
O1		1.1907	2.3178	3.3711
N2	1.1907		1.1271	2.1804
C3	2.3178	1.1271		1.0533
H4	3.3711	2.1804	1.0533

Number	Element	Mulliken
1	O	-0.501
2	N	0.123
3	C	0.153
4	H	0.225

	x	y	z	Total
	0.000	0.000	-4.242	4.242
CHELPG
AIM
ESP

<r²>	33.554
(<r²>)^1/2	5.793

Number	Element	Mulliken
1	O	-0.501
2	N	0.123
3	C	0.152
4	H	0.225