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	hartrees
Energy at 0K	-261.443971
Energy at 298.15K
HF Energy	-260.626094
Nuclear repulsion energy	164.305263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3357	3140	0.79
2	A₁	1508	1411	16.75
3	A₁	1386	1296	2.92
4	A₁	1084	1014	3.73
5	A₁	1069	1000	23.90
6	A₁	932	872	27.88
7	A₂	782	731	0.00
8	A₂	597	558	0.00
9	B₁	851	796	40.59
10	B₁	632	591	0.62
11	B₂	3343	3127	0.12
12	B₂	1637	1531	0.14
13	B₂	1250	1169	4.26
14	B₂	1011	945	3.43
15	B₂	980	916	13.87

Atom	y (Å)	z (Å)
O1	0.000	1.119
N2	1.124	0.355
N3	-1.124	0.355
C4	0.711	-0.877
C5	-0.711	-0.877
H6	1.405	-1.696
H7	-1.405	-1.696

	O1	N2	N3	C4	C5	H6	H7
O1		1.3590	1.3590	2.1190	2.1190	3.1464	3.1464
N2	1.3590		2.2472	1.2991	2.2095	2.0699	3.2558
N3	1.3590	2.2472		2.2095	1.2991	3.2558	2.0699
C4	2.1190	1.2991	2.2095		1.4216	1.0738	2.2690
C5	2.1190	2.2095	1.2991	1.4216		2.2690	1.0738
H6	3.1464	2.0699	3.2558	1.0738	2.2690		2.8107
H7	3.1464	3.2558	2.0699	2.2690	1.0738	2.8107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.704	O1	N3	C5	105.704
N2	O1	N3	111.534	N2	C4	C5	108.529
N2	C4	H6	121.166	N3	C5	C4	108.529
N3	C5	H7	121.166	C4	C5	H7	130.305
C5	C4	H6	130.305

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)