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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	-167.658293
Energy at 298.15K
HF Energy	-167.658293
Nuclear repulsion energy	61.197380

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	3328	315.86	10.74	0.23	0.38
2	Σ	2498	2275	424.32	126.99	0.12	0.21
3	Σ	1302	1185	293.01	4.70	0.17	0.30
4	Π	616	561	0.30	1.19	0.75	0.86
4	Π	616	561	0.30	1.19	0.75	0.86
5	Π	583	531	68.09	4.35	0.75	0.86
5	Π	583	531	68.09	4.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.171
N2	0.000	0.000	-0.027
C3	0.000	0.000	-1.159
H4	0.000	0.000	-2.219

	O1	N2	C3	H4
O1		1.1984	2.3303	3.3901
N2	1.1984		1.1319	2.1917
C3	2.3303	1.1319		1.0598
H4	3.3901	2.1917	1.0598

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

using model chemistry: HF/aug-cc-pVDZ

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	3329	315.68
2	A'	2498	2274	425.44
3	A'	1302	1186	292.94
4	A'	616	561	0.31
5	A'	581	529	68.12
6	A"	610	556	15.70

Atom	x (Å)	y (Å)
O1	-0.004	-1.171
N2	0.000	0.027
C3	0.003	1.159
H4	0.008	2.219

	O1	N2	C3	H4
O1		1.1983	2.3304	3.3900
N2	1.1983		1.1320	2.1917
C3	2.3304	1.1320		1.0597
H4	3.3900	2.1917	1.0597

Number	Element	Mulliken
1	O	-0.810
2	N	0.309
3	C	0.510
4	H	-0.009

	x	y	z	Total
	0.000	0.000	-4.348	4.348
CHELPG
AIM
ESP

<r²>	33.894
(<r²>)^1/2	5.822

Number	Element	Mulliken
1	O	-0.810
2	N	0.309
3	C	0.511
4	H	-0.009