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	hartrees
Energy at 0K	-261.351849
Energy at 298.15K
HF Energy	-260.541174
Nuclear repulsion energy	162.751938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3375	3154	1.11	88.06	0.10	0.18
2	A₁	1457	1362	25.67	8.89	0.74	0.85
3	A₁	1309	1223	0.61	14.71	0.11	0.20
4	A₁	1110	1037	0.15	7.17	0.41	0.59
5	A₁	1039	970	15.13	6.33	0.25	0.40
6	A₁	923	863	10.96	5.43	0.13	0.23
7	A₂	867	810	0.00	1.22	0.75	0.86
8	A₂	642	600	0.00	0.52	0.75	0.86
9	B₁	854	798	38.05	1.28	0.75	0.86
10	B₁	663	619	1.11	0.29	0.75	0.86
11	B₂	3360	3140	0.43	50.57	0.75	0.86
12	B₂	1528	1428	0.84	0.74	0.75	0.86
13	B₂	1210	1130	5.83	0.01	0.75	0.86
14	B₂	978	913	14.88	2.80	0.75	0.86
15	B₂	945	883	1.26	2.07	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.129
N2	1.139	0.363
N3	-1.139	0.363
C4	0.701	-0.891
C5	-0.701	-0.891
H6	1.399	-1.709
H7	-1.399	-1.709

	O1	N2	N3	C4	C5	H6	H7
O1		1.3724	1.3724	2.1378	2.1378	3.1635	3.1635
N2	1.3724		2.2778	1.3279	2.2267	2.0880	3.2758
N3	1.3724	2.2778		2.2267	1.3279	3.2758	2.0880
C4	2.1378	1.3279	2.2267		1.4026	1.0748	2.2536
C5	2.1378	2.2267	1.3279	1.4026		2.2536	1.0748
H6	3.1635	2.0880	3.2758	1.0748	2.2536		2.7971
H7	3.1635	3.2758	2.0880	2.2536	1.0748	2.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.677	O1	N3	C5	104.677
N2	O1	N3	112.167	N2	C4	C5	109.239
N2	C4	H6	120.319	N3	C5	C4	109.239
N3	C5	H7	120.319	C4	C5	H7	130.441
C5	C4	H6	130.441

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)