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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	-167.633114
Energy at 298.15K	-167.633715
HF Energy	-167.633114
Nuclear repulsion energy	59.442243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3490	3419	233.30
2	Σ	2296	2249	191.14
3	Σ	1254	1228	63.72
4	Π	522	511	0.46
4	Π	522	511	0.46
5	Π	308	302	113.86
5	Π	308	302	113.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.204
N2	0.000	0.000	-0.022
C3	0.000	0.000	-1.200
H4	0.000	0.000	-2.270

	O1	N2	C3	H4
O1		1.2259	2.4039	3.4736
N2	1.2259		1.1779	2.2476
C3	2.4039	1.1779		1.0697
H4	3.4736	2.2476	1.0697

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

using model chemistry: LSDA/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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Atom	x (Å)	y (Å)
O1	-0.001	-1.204
N2	0.000	0.022
C3	0.001	1.200
H4	0.004	2.270

	O1	N2	C3	H4
O1		1.2260	2.4039	3.4736
N2	1.2260		1.1779	2.2476
C3	2.4039	1.1779		1.0697
H4	3.4736	2.2476	1.0697

Number	Element	Mulliken
1	O	-0.319
2	N	0.071
3	C	-0.041
4	H	0.288

	x	y	z	Total
	0.000	0.000	-3.121	3.121
CHELPG
AIM
ESP

<r²>	35.285
(<r²>)^1/2	5.940

Number	Element	Mulliken
1	O	-0.319
2	N	0.071
3	C	-0.041
4	H	0.288