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	hartrees
Energy at 0K	-261.356450
Energy at 298.15K
HF Energy	-260.564921
Nuclear repulsion energy	163.604198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3351	3151	1.15
2	A₁	1514	1424	15.06
3	A₁	1377	1295	3.03
4	A₁	1077	1013	15.13
5	A₁	1063	1000	9.23
6	A₁	937	881	24.11
7	A₂	906	852	0.00
8	A₂	657	618	0.00
9	B₁	874	822	34.66
10	B₁	656	617	0.67
11	B₂	3336	3137	0.14
12	B₂	1633	1536	0.13
13	B₂	1223	1150	3.87
14	B₂	1012	952	2.81
15	B₂	983	925	18.33

Atom	y (Å)	z (Å)
O1	0.000	1.120
N2	1.125	0.361
N3	-1.125	0.361
C4	0.716	-0.883
C5	-0.716	-0.883
H6	1.423	-1.708
H7	-1.423	-1.708

	O1	N2	N3	C4	C5	H6	H7
O1		1.3568	1.3568	2.1270	2.1270	3.1655	3.1655
N2	1.3568		2.2502	1.3103	2.2221	2.0907	3.2824
N3	1.3568	2.2502		2.2221	1.3103	3.2824	2.0907
C4	2.1270	1.3103	2.2221		1.4314	1.0864	2.2920
C5	2.1270	2.2221	1.3103	1.4314		2.2920	1.0864
H6	3.1655	2.0907	3.2824	1.0864	2.2920		2.8456
H7	3.1655	3.2824	2.0907	2.2920	1.0864	2.8456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.770	O1	N3	C5	105.770
N2	O1	N3	112.044	N2	C4	C5	108.208
N2	C4	H6	121.186	N3	C5	C4	108.208
N3	C5	H7	121.186	C4	C5	H7	130.606
C5	C4	H6	130.606

All results from a given calculation for C₂H₂N₂O (Furazan)

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)