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	hartrees
Energy at 0K	-261.666080
Energy at 298.15K	-261.661670
HF Energy	-260.547385
Nuclear repulsion energy	166.633787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3483	3281	0.02	85.11	0.10	0.18
2	A₁	1668	1572	6.83	26.17	0.21	0.35
3	A₁	1488	1402	5.74	12.53	0.30	0.47
4	A₁	1162	1095	45.48	6.81	0.37	0.54
5	A₁	1125	1060	0.55	2.06	0.16	0.28
6	A₁	1008	950	35.47	4.54	0.12	0.22
7	A₂	1035	975	0.00	3.49	0.75	0.86
8	A₂	717	676	0.00	0.11	0.75	0.86
9	B₁	976	919	34.13	0.34	0.75	0.86
10	B₁	696	656	1.01	1.27	0.75	0.86
11	B₂	3469	3269	0.42	54.63	0.75	0.86
12	B₂	1820	1714	0.12	0.95	0.75	0.86
13	B₂	1345	1267	2.62	1.03	0.75	0.86
14	B₂	1141	1075	0.74	0.54	0.75	0.86
15	B₂	1057	996	29.26	4.98	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.129
N2	1.139	0.363
N3	-1.139	0.363
C4	0.701	-0.891
C5	-0.701	-0.891
H6	1.404	-1.712
H7	-1.404	-1.712

	O1	N2	N3	C4	C5	H6	H7
O1		1.3727	1.3727	2.1384	2.1384	3.1687	3.1687
N2	1.3727		2.2782	1.3282	2.2271	2.0916	3.2818
N3	1.3727	2.2782		2.2271	1.3282	3.2818	2.0916
C4	2.1384	1.3282	2.2271		1.4028	1.0802	2.2594
C5	2.1384	2.2271	1.3282	1.4028		2.2594	1.0802
H6	3.1687	2.0916	3.2818	1.0802	2.2594		2.8072
H7	3.1687	3.2818	2.0916	2.2594	1.0802	2.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	106.504	O1	N3	C5	106.504
N2	O1	N3	111.601	N2	C4	C5	107.696
N2	C4	H6	121.914	N3	C5	C4	107.696
N3	C5	H7	121.914	C4	C5	H7	130.391
C5	C4	H6	130.391

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: G2

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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All results from a given calculation for C2H2N2O (Furazan)

using model chemistry: G2

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)