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	hartrees
Energy at 0K	-261.517992
Energy at 298.15K
HF Energy	-260.570381
Nuclear repulsion energy	164.864711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3375	3375	1.42
2	A₁	1510	1510	13.68
3	A₁	1388	1388	3.98
4	A₁	1094	1094	18.31
5	A₁	1084	1084	7.82
6	A₁	953	953	19.67
7	A₂	947	947	0.00
8	A₂	676	676	0.00
9	B₁	901	901	31.08
10	B₁	667	667	1.46
11	B₂	3360	3360	0.50
12	B₂	1637	1637	0.42
13	B₂	1247	1247	3.99
14	B₂	1039	1039	1.03
15	B₂	992	992	21.90

Atom	y (Å)	z (Å)
O1	0.000	1.114
N2	1.116	0.357
N3	-1.116	0.357
C4	0.709	-0.877
C5	-0.709	-0.877
H6	1.405	-1.694
H7	-1.405	-1.694

	O1	N2	N3	C4	C5	H6	H7
O1		1.3491	1.3491	2.1139	2.1139	3.1399	3.1399
N2	1.3491		2.2325	1.2995	2.2030	2.0706	3.2498
N3	1.3491	2.2325		2.2030	1.2995	3.2498	2.0706
C4	2.1139	1.2995	2.2030		1.4175	1.0731	2.2660
C5	2.1139	2.2030	1.2995	1.4175		2.2660	1.0731
H6	3.1399	2.0706	3.2498	1.0731	2.2660		2.8101
H7	3.1399	3.2498	2.0706	2.2660	1.0731	2.8101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.888	O1	N3	C5	105.888
N2	O1	N3	111.670	N2	C4	C5	108.276
N2	C4	H6	121.264	N3	C5	C4	108.276
N3	C5	H7	121.264	C4	C5	H7	130.460
C5	C4	H6	130.460

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)