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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	-31.234284
Energy at 298.15K
HF Energy	-31.234284
Nuclear repulsion energy	30.923900

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	3651	3331	254.04	11.14	0.20	0.33
2	Σ	2393	2183	112.25	129.85	0.18	0.31
3	Σ	935	853	129.39	0.00	0.62	0.76
4	Π	722	659	96.13	8.27	0.75	0.86
4	Π	722	659	96.13	8.27	0.75	0.86
5	Π	484	442	1.59	1.12	0.75	0.86
5	Π	484	442	1.59	1.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.232
N2	0.000	0.000	-0.059
C3	0.000	0.000	-1.199
H4	0.000	0.000	-2.253

	O1	N2	C3	H4
O1		1.2913	2.4316	3.4854
N2	1.2913		1.1403	2.1941
C3	2.4316	1.1403		1.0538
H4	3.4854	2.1941	1.0538

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

using model chemistry: HF/CEP-121G

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'	3650	3331	254.34
2	A'	2394	2184	112.80
3	A'	937	855	129.88
4	A'	723	660	96.24
5	A'	484	442	1.54
6	A"	484	442	2.15

Atom	x (Å)	y (Å)
O1	-0.001	-1.232
N2	0.000	0.059
C3	0.001	1.199
H4	0.001	2.253

	O1	N2	C3	H4
O1		1.2908	2.4310	3.4849
N2	1.2908		1.1402	2.1940
C3	2.4310	1.1402		1.0539
H4	3.4849	2.1940	1.0539

Number	Element	Mulliken
1	O	-0.337
2	N	0.403
3	C	-0.380
4	H	0.314

	x	y	z	Total
	0.000	0.000	-5.451	5.451
CHELPG
AIM
ESP

<r²>	29.997
(<r²>)^1/2	5.477

Number	Element	Mulliken
1	O	-0.337
2	N	0.404
3	C	-0.380
4	H	0.314