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	hartrees
Energy at 0K	-261.348519
Energy at 298.15K
HF Energy	-260.546980
Nuclear repulsion energy	163.765178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3394	3394	0.56
2	A₁	1535	1535	14.04
3	A₁	1396	1396	3.01
4	A₁	1097	1097	0.85
5	A₁	1063	1063	23.43
6	A₁	940	940	22.53
7	A₂	891	891	0.00
8	A₂	654	654	0.00
9	B₁	880	880	34.84
10	B₁	650	650	0.63
11	B₂	3380	3380	0.00
12	B₂	1658	1658	0.42
13	B₂	1258	1258	4.06
14	B₂	1021	1021	3.65
15	B₂	988	988	15.80

Atom	y (Å)	z (Å)
O1	0.000	1.123
N2	1.129	0.356
N3	-1.129	0.356
C4	0.711	-0.880
C5	-0.711	-0.880
H6	1.403	-1.700
H7	-1.403	-1.700

	O1	N2	N3	C4	C5	H6	H7
O1		1.3651	1.3651	2.1261	2.1261	3.1530	3.1530
N2	1.3651		2.2573	1.3045	2.2162	2.0741	3.2610
N3	1.3651	2.2573		2.2162	1.3045	3.2610	2.0741
C4	2.1261	1.3045	2.2162		1.4220	1.0728	2.2672
C5	2.1261	2.2162	1.3045	1.4220		2.2672	1.0728
H6	3.1530	2.0741	3.2610	1.0728	2.2672		2.8052
H7	3.1530	3.2610	2.0741	2.2672	1.0728	2.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.557	O1	N3	C5	105.557
N2	O1	N3	111.540	N2	C4	C5	108.673
N2	C4	H6	121.188	N3	C5	C4	108.673
N3	C5	H7	121.188	C4	C5	H7	130.139
C5	C4	H6	130.139

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)