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	hartrees
Energy at 0K	-261.361373
Energy at 298.15K
HF Energy	-260.537720
Nuclear repulsion energy	161.960973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3293	3159
2	A₁	1476	1415
3	A₁	1346	1291
4	A₁	1075	1031
5	A₁	1006	965
6	A₁	881	845
7	A₂	834	800
8	A₂	629	603
9	B₁	836	802
10	B₁	626	600
11	B₂	3280	3147
12	B₂	1585	1520
13	B₂	1211	1162
14	B₂	958	919
15	B₂	861	826

Atom	y (Å)	z (Å)
O1	0.000	1.138
N2	1.147	0.355
N3	-1.147	0.355
C4	0.714	-0.887
C5	-0.714	-0.887
H6	1.409	-1.718
H7	-1.409	-1.718

	O1	N2	N3	C4	C5	H6	H7
O1		1.3885	1.3885	2.1469	2.1469	3.1849	3.1849
N2	1.3885		2.2933	1.3151	2.2367	2.0898	3.2908
N3	1.3885	2.2933		2.2367	1.3151	3.2908	2.0898
C4	2.1469	1.3151	2.2367		1.4275	1.0838	2.2798
C5	2.1469	2.2367	1.3151	1.4275		2.2798	1.0838
H6	3.1849	2.0898	3.2908	1.0838	2.2798		2.8180
H7	3.1849	3.2908	2.0898	2.2798	1.0838	2.8180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.110	O1	N3	C5	105.110
N2	O1	N3	111.343	N2	C4	C5	109.219
N2	C4	H6	120.878	N3	C5	C4	109.219
N3	C5	H7	120.878	C4	C5	H7	129.903
C5	C4	H6	129.903

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD(T)/6-31G*

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: QCISD(T)/6-31G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)