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	hartrees
Energy at 0K	-261.387019
Energy at 298.15K
HF Energy	-260.535868
Nuclear repulsion energy	161.722879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3293	3167
2	A₁	1447	1391
3	A₁	1326	1275
4	A₁	1083	1042
5	A₁	1000	962
6	A₁	878	845
7	A₂	832	800
8	A₂	631	607
9	B₁	833	801
10	B₁	637	613
11	B₂	3280	3154
12	B₂	1544	1485
13	B₂	1199	1153
14	B₂	955	918
15	B₂	844	812

Atom	y (Å)	z (Å)
O1	0.000	1.140
N2	1.149	0.357
N3	-1.149	0.357
C4	0.710	-0.890
C5	-0.710	-0.890
H6	1.407	-1.720
H7	-1.407	-1.720

	O1	N2	N3	C4	C5	H6	H7
O1		1.3904	1.3904	2.1497	2.1497	3.1868	3.1868
N2	1.3904		2.2988	1.3219	2.2386	2.0929	3.2936
N3	1.3904	2.2988		2.2386	1.3219	3.2936	2.0929
C4	2.1497	1.3219	2.2386		1.4198	1.0840	2.2737
C5	2.1497	2.2386	1.3219	1.4198		2.2737	1.0840
H6	3.1868	2.0929	3.2936	1.0840	2.2737		2.8136
H7	3.1868	3.2936	2.0929	2.2737	1.0840	2.8136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.826	O1	N3	C5	104.826
N2	O1	N3	111.509	N2	C4	C5	109.420
N2	C4	H6	120.574	N3	C5	C4	109.420
N3	C5	H7	120.574	C4	C5	H7	130.007
C5	C4	H6	130.007

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP4=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: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)