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	hartrees
Energy at 0K	-260.958127
Energy at 298.15K
HF Energy	-260.377992
Nuclear repulsion energy	156.721956

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	3326	3160	2.94	94.52	0.10	0.18
2	A₁	1367	1299	34.88	11.25	0.75	0.86
3	A₁	1189	1130	5.81	18.71	0.15	0.26
4	A₁	1090	1035	0.07	5.31	0.37	0.54
5	A₁	919	873	1.38	3.19	0.75	0.86
6	A₁	757	719	13.38	7.53	0.14	0.25
7	A₂	827	786	0.00	1.61	0.75	0.86
8	A₂	624	593	0.00	0.41	0.75	0.86
9	B₁	835	794	53.27	1.26	0.75	0.86
10	B₁	593	564	1.25	0.24	0.75	0.86
11	B₂	3308	3143	0.53	52.63	0.75	0.86
12	B₂	1438	1366	9.59	0.66	0.75	0.86
13	B₂	1176	1117	5.04	0.00	0.75	0.86
14	B₂	954	906	9.35	5.12	0.75	0.86
15	B₂	670	637	0.23	0.33	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.193
N2	1.203	0.350
N3	-1.203	0.350
C4	0.714	-0.911
C5	-0.714	-0.911
H6	1.394	-1.752
H7	-1.394	-1.752

	O1	N2	N3	C4	C5	H6	H7
O1		1.4696	1.4696	2.2225	2.2225	3.2587	3.2587
N2	1.4696		2.4066	1.3529	2.2946	2.1104	3.3412
N3	1.4696	2.4066		2.2946	1.3529	3.3412	2.1104
C4	2.2225	1.3529	2.2946		1.4272	1.0815	2.2691
C5	2.2225	2.2946	1.3529	1.4272		2.2691	1.0815
H6	3.2587	2.1104	3.3412	1.0815	2.2691		2.7881
H7	3.2587	3.3412	2.1104	2.2691	1.0815	2.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	103.814	O1	N3	C5	103.814
N2	O1	N3	109.930	N2	C4	C5	111.221
N2	C4	H6	119.792	N3	C5	C4	111.221
N3	C5	H7	119.792	C4	C5	H7	128.987
C5	C4	H6	128.987

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)