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	hartrees
Energy at 0K	-261.649082
Energy at 298.15K
HF Energy	-260.644455
Nuclear repulsion energy	163.154706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3292	3292
2	A₁	1455	1455
3	A₁	1337	1337
4	A₁	1063	1063
5	A₁	1022	1022
6	A₁	890	890
7	A₂	886	886
8	A₂	643	643
9	B₁	858	858
10	B₁	638	638
11	B₂	3278	3278
12	B₂	1565	1565
13	B₂	1200	1200
14	B₂	953	953
15	B₂	877	877

Atom	y (Å)	z (Å)
O1	0.000	1.129
N2	1.134	0.355
N3	-1.134	0.355
C4	0.712	-0.883
C5	-0.712	-0.883
H6	1.408	-1.704
H7	-1.408	-1.704

	O1	N2	N3	C4	C5	H6	H7
O1		1.3730	1.3730	2.1341	2.1341	3.1637	3.1637
N2	1.3730		2.2683	1.3082	2.2225	2.0776	3.2713
N3	1.3730	2.2683		2.2225	1.3082	3.2713	2.0776
C4	2.1341	1.3082	2.2225		1.4231	1.0766	2.2727
C5	2.1341	2.2225	1.3082	1.4231		2.2727	1.0766
H6	3.1637	2.0776	3.2713	1.0766	2.2727		2.8151
H7	3.1637	3.2713	2.0776	2.2727	1.0766	2.8151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.464	O1	N3	C5	105.464
N2	O1	N3	111.383	N2	C4	C5	108.845
N2	C4	H6	120.882	N3	C5	C4	108.845
N3	C5	H7	120.882	C4	C5	H7	130.274
C5	C4	H6	130.274

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD(T)/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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All results from a given calculation for C2H2N2O (Furazan)

using model chemistry: CCSD(T)/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)