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	hartrees
Energy at 0K	-261.771777
Energy at 298.15K
HF Energy	-260.629744
Nuclear repulsion energy	163.046014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3289	3289
2	A₁	1427	1427
3	A₁	1313	1313
4	A₁	1069	1069
5	A₁	1014	1014
6	A₁	884	884
7	A₂	898	898
8	A₂	647	647
9	B₁	851	851
10	B₁	650	650
11	B₂	3274	3274
12	B₂	1523	1523
13	B₂	1186	1186
14	B₂	950	950
15	B₂	860	860

Atom	y (Å)	z (Å)
O1	0.000	1.129
N2	1.135	0.358
N3	-1.135	0.358
C4	0.707	-0.886
C5	-0.707	-0.886
H6	1.406	-1.705
H7	-1.406	-1.705

	O1	N2	N3	C4	C5	H6	H7
O1		1.3728	1.3728	2.1351	2.1351	3.1640	3.1640
N2	1.3728		2.2710	1.3150	2.2225	2.0806	3.2734
N3	1.3728	2.2710		2.2225	1.3150	3.2734	2.0806
C4	2.1351	1.3150	2.2225		1.4137	1.0774	2.2663
C5	2.1351	2.2225	1.3150	1.4137		2.2663	1.0774
H6	3.1640	2.0806	3.2734	1.0774	2.2663		2.8120
H7	3.1640	3.2734	2.0806	2.2663	1.0774	2.8120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.172	O1	N3	C5	105.172
N2	O1	N3	111.609	N2	C4	C5	109.024
N2	C4	H6	120.516	N3	C5	C4	109.024
N3	C5	H7	120.516	C4	C5	H7	130.460
C5	C4	H6	130.460

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP4=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)