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	hartrees
Energy at 0K	-261.469010
Energy at 298.15K
HF Energy	-260.573609
Nuclear repulsion energy	160.973172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3286	3205
2	A₁	1419	1384
3	A₁	1293	1261
4	A₁	1052	1026
5	A₁	983	958
6	A₁	848	827
7	A₂	827	807
8	A₂	624	608
9	B₁	824	803
10	B₁	628	612
11	B₂	3270	3189
12	B₂	1506	1468
13	B₂	1158	1130
14	B₂	936	913
15	B₂	795	776

Atom	y (Å)	z (Å)
O1	0.000	1.143
N2	1.153	0.360
N3	-1.153	0.360
C4	0.715	-0.895
C5	-0.715	-0.895
H6	1.418	-1.727
H7	-1.418	-1.727

	O1	N2	N3	C4	C5	H6	H7
O1		1.3938	1.3938	2.1597	2.1597	3.2015	3.2015
N2	1.3938		2.3067	1.3293	2.2511	2.1044	3.3122
N3	1.3938	2.3067		2.2511	1.3293	3.3122	2.1044
C4	2.1597	1.3293	2.2511		1.4309	1.0895	2.2902
C5	2.1597	2.2511	1.3293	1.4309		2.2902	1.0895
H6	3.2015	2.1044	3.3122	1.0895	2.2902		2.8362
H7	3.2015	3.3122	2.1044	2.2902	1.0895	2.8362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.925	O1	N3	C5	104.925
N2	O1	N3	111.680	N2	C4	C5	109.235
N2	C4	H6	120.600	N3	C5	C4	109.235
N3	C5	H7	120.600	C4	C5	H7	130.165
C5	C4	H6	130.165

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP4=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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)