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	hartrees
Energy at 0K	-168.476491
Energy at 298.15K
HF Energy	-168.476491
Nuclear repulsion energy	60.214333

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	3441	3441	237.10	33.12	0.22	0.36
2	Σ	2277	2277	367.30	28.62	0.06	0.12
3	Σ	1282	1282	93.01	24.61	0.25	0.40
4	Π	549	549	2.85	0.28	0.75	0.86
4	Π	549	549	2.85	0.28	0.75	0.86
5	Π	180i	180i	80.91	5.11	0.75	0.86
5	Π	180i	180i	80.91	5.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.186
N2	0.000	0.000	-0.016
C3	0.000	0.000	-1.186
H4	0.000	0.000	-2.253

	O1	N2	C3	H4
O1		1.2023	2.3722	3.4393
N2	1.2023		1.1699	2.2370
C3	2.3722	1.1699		1.0671
H4	3.4393	2.2370	1.0671

Number	Element	Mulliken
1	O	-0.267
2	N	0.398
3	C	-0.364
4	H	0.234

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

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	34.721
(<r²>)^1/2	5.892