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	hartrees
Energy at 0K	-261.503251
Energy at 298.15K
HF Energy	-260.601115
Nuclear repulsion energy	164.409832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3333	3333	0.43
2	A₁	1512	1512	15.45
3	A₁	1385	1385	3.64
4	A₁	1088	1088	23.94
5	A₁	1073	1073	3.99
6	A₁	948	948	25.84
7	A₂	874	874	0.00
8	A₂	657	657	0.00
9	B₁	866	866	43.66
10	B₁	657	657	0.56
11	B₂	3319	3319	0.10
12	B₂	1637	1637	0.28
13	B₂	1235	1235	4.93
14	B₂	1034	1034	2.34
15	B₂	991	991	18.08

Atom	y (Å)	z (Å)
O1	0.000	1.115
N2	1.119	0.358
N3	-1.119	0.358
C4	0.713	-0.879
C5	-0.713	-0.879
H6	1.416	-1.697
H7	-1.416	-1.697

	O1	N2	N3	C4	C5	H6	H7
O1		1.3513	1.3513	2.1178	2.1178	3.1483	3.1483
N2	1.3513		2.2390	1.3024	2.2110	2.0763	3.2636
N3	1.3513	2.2390		2.2110	1.3024	3.2636	2.0763
C4	2.1178	1.3024	2.2110		1.4259	1.0784	2.2805
C5	2.1178	2.2110	1.3024	1.4259		2.2805	1.0784
H6	3.1483	2.0763	3.2636	1.0784	2.2805		2.8317
H7	3.1483	3.2636	2.0763	2.2805	1.0784	2.8317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.875	O1	N3	C5	105.875
N2	O1	N3	111.873	N2	C4	C5	108.189
N2	C4	H6	121.130	N3	C5	C4	108.189
N3	C5	H7	121.130	C4	C5	H7	130.681
C5	C4	H6	130.681

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)