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	hartrees
Energy at 0K	-261.408519
Energy at 298.15K
HF Energy	-260.582030
Nuclear repulsion energy	163.138912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3338	3338	0.67
2	A₁	1504	1504	18.86
3	A₁	1365	1365	2.41
4	A₁	1070	1070	5.61
5	A₁	1050	1050	19.52
6	A₁	921	921	23.89
7	A₂	872	872	0.00
8	A₂	647	647	0.00
9	B₁	864	864	39.03
10	B₁	645	645	1.21
11	B₂	3323	3323	0.13
12	B₂	1618	1618	0.08
13	B₂	1215	1215	3.32
14	B₂	992	992	7.10
15	B₂	970	970	12.81

Atom	y (Å)	z (Å)
O1	0.000	1.126
N2	1.130	0.359
N3	-1.130	0.359
C4	0.717	-0.885
C5	-0.717	-0.885
H6	1.422	-1.709
H7	-1.422	-1.709

	O1	N2	N3	C4	C5	H6	H7
O1		1.3650	1.3650	2.1344	2.1344	3.1715	3.1715
N2	1.3650		2.2593	1.3111	2.2265	2.0892	3.2850
N3	1.3650	2.2593		2.2265	1.3111	3.2850	2.0892
C4	2.1344	1.3111	2.2265		1.4332	1.0850	2.2921
C5	2.1344	2.2265	1.3111	1.4332		2.2921	1.0850
H6	3.1715	2.0892	3.2850	1.0850	2.2921		2.8444
H7	3.1715	3.2850	2.0892	2.2921	1.0850	2.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.780	O1	N3	C5	105.780
N2	O1	N3	111.712	N2	C4	C5	108.364
N2	C4	H6	121.073	N3	C5	C4	108.364
N3	C5	H7	121.073	C4	C5	H7	130.563
C5	C4	H6	130.563

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)