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	hartrees
Energy at 0K	-261.507033
Energy at 298.15K
HF Energy	-260.595630
Nuclear repulsion energy	163.380703

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	3325	3149	0.83	87.37	0.12	0.21
2	A₁	1433	1357	28.42	7.99	0.73	0.85
3	A₁	1302	1233	0.78	17.09	0.10	0.19
4	A₁	1092	1035	0.78	6.64	0.38	0.55
5	A₁	1055	999	15.95	6.88	0.23	0.38
6	A₁	928	879	14.31	4.63	0.15	0.25
7	A₂	850	806	0.00	0.51	0.75	0.86
8	A₂	644	610	0.00	0.36	0.75	0.86
9	B₁	840	795	47.36	0.34	0.75	0.86
10	B₁	667	632	1.09	0.20	0.75	0.86
11	B₂	3311	3136	0.83	49.13	0.75	0.86
12	B₂	1508	1429	0.54	0.93	0.75	0.86
13	B₂	1191	1128	7.11	0.01	0.75	0.86
14	B₂	978	926	14.79	2.62	0.75	0.86
15	B₂	950	900	1.94	2.17	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.121
N2	1.130	0.366
N3	-1.130	0.366
C4	0.703	-0.890
C5	-0.703	-0.890
H6	1.411	-1.704
H7	-1.411	-1.704

	O1	N2	N3	C4	C5	H6	H7
O1		1.3590	1.3590	2.1302	2.1302	3.1581	3.1581
N2	1.3590		2.2594	1.3258	2.2216	2.0888	3.2772
N3	1.3590	2.2594		2.2216	1.3258	3.2772	2.0888
C4	2.1302	1.3258	2.2216		1.4063	1.0792	2.2658
C5	2.1302	2.2216	1.3258	1.4063		2.2658	1.0792
H6	3.1581	2.0888	3.2772	1.0792	2.2658		2.8224
H7	3.1581	3.2772	2.0888	2.2658	1.0792	2.8224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.003	O1	N3	C5	105.003
N2	O1	N3	112.460	N2	C4	C5	108.767
N2	C4	H6	120.231	N3	C5	C4	108.767
N3	C5	H7	120.231	C4	C5	H7	131.002
C5	C4	H6	131.002

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)