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	hartrees
Energy at 0K	-261.348067
Energy at 298.15K
HF Energy	-260.547035
Nuclear repulsion energy	162.354724

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	3367	3167	1.68	103.00	0.10	0.18
2	A₁	1445	1360	27.45	9.02	0.75	0.86
3	A₁	1298	1220	1.15	24.79	0.03	0.06
4	A₁	1103	1038	0.23	6.10	0.25	0.40
5	A₁	1028	967	17.37	8.45	0.14	0.25
6	A₁	909	855	13.85	5.26	0.10	0.19
7	A₂	838	788	0.00	0.02	0.75	0.86
8	A₂	622	585	0.00	0.48	0.75	0.86
9	B₁	841	791	50.08	0.01	0.75	0.86
10	B₁	646	607	1.10	0.16	0.75	0.86
11	B₂	3352	3153	1.20	54.36	0.75	0.86
12	B₂	1515	1425	0.25	0.76	0.75	0.86
13	B₂	1202	1131	6.28	0.01	0.75	0.86
14	B₂	970	912	12.81	2.20	0.75	0.86
15	B₂	926	871	0.59	1.44	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.132
N2	1.142	0.363
N3	-1.142	0.363
C4	0.703	-0.893
C5	-0.703	-0.893
H6	1.403	-1.711
H7	-1.403	-1.711

	O1	N2	N3	C4	C5	H6	H7
O1		1.3765	1.3765	2.1437	2.1437	3.1700	3.1700
N2	1.3765		2.2834	1.3308	2.2318	2.0902	3.2827
N3	1.3765	2.2834		2.2318	1.3308	3.2827	2.0902
C4	2.1437	1.3308	2.2318		1.4057	1.0763	2.2589
C5	2.1437	2.2318	1.3308	1.4057		2.2589	1.0763
H6	3.1700	2.0902	3.2827	1.0763	2.2589		2.8059
H7	3.1700	3.2827	2.0902	2.2589	1.0763	2.8059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.701	O1	N3	C5	104.701
N2	O1	N3	112.085	N2	C4	C5	109.256
N2	C4	H6	120.167	N3	C5	C4	109.256
N3	C5	H7	120.167	C4	C5	H7	130.577
C5	C4	H6	130.577

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)