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	hartrees
Energy at 0K	-168.608213
Energy at 298.15K
HF Energy	-168.608213
Nuclear repulsion energy	60.116768

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	3506	3506	250.77	37.80	0.22	0.36
2	Σ	2308	2308	395.84	46.44	0.05	0.10
3	Σ	1285	1285	120.41	25.55	0.18	0.30
4	Π	545	545	5.91	0.12	0.75	0.86
4	Π	545	545	5.91	0.12	0.75	0.86
5	Π	198i	198i	71.56	4.67	0.75	0.86
5	Π	198i	198i	71.56	4.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.189
N2	0.000	0.000	-0.019
C3	0.000	0.000	-1.187
H4	0.000	0.000	-2.253

	O1	N2	C3	H4
O1		1.2082	2.3760	3.4418
N2	1.2082		1.1678	2.2336
C3	2.3760	1.1678		1.0658
H4	3.4418	2.2336	1.0658

Number	Element	Mulliken
1	O	-1.225
2	N	2.358
3	C	-0.273
4	H	-0.860

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

using model chemistry: TPSSh/daug-cc-pVDZ

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>	34.783
(<r²>)^1/2	5.898