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	hartrees
Energy at 0K	-47.491446
Energy at 298.15K
HF Energy	-46.923355
Nuclear repulsion energy	80.588946

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	3254	3175	0.32	102.31	0.10	0.19
2	A₁	1327	1295	38.32	10.50	0.75	0.86
3	A₁	1126	1099	11.13	26.42	0.11	0.19
4	A₁	1055	1030	0.06	6.85	0.29	0.44
5	A₁	901	879	3.26	3.40	0.61	0.76
6	A₁	785	766	15.14	9.19	0.15	0.26
7	A₂	690	673	0.00	1.15	0.75	0.86
8	A₂	572	559	0.00	0.02	0.75	0.86
9	B₁	793	774	64.44	0.29	0.75	0.86
10	B₁	577	563	1.11	0.04	0.75	0.86
11	B₂	3235	3157	0.43	51.55	0.75	0.86
12	B₂	1382	1349	6.67	1.32	0.75	0.86
13	B₂	1131	1104	4.98	0.02	0.75	0.86
14	B₂	940	917	6.50	5.10	0.75	0.86
15	B₂	752	734	1.17	0.69	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.198
N2	1.214	0.360
N3	-1.214	0.360
C4	0.722	-0.925
C5	-0.722	-0.925
H6	1.416	-1.759
H7	-1.416	-1.759

	O1	N2	N3	C4	C5	H6	H7
O1		1.4751	1.4751	2.2421	2.2421	3.2786	3.2786
N2	1.4751		2.4277	1.3757	2.3231	2.1287	3.3771
N3	1.4751	2.4277		2.3231	1.3757	3.3771	2.1287
C4	2.2421	1.3757	2.3231		1.4435	1.0853	2.2945
C5	2.2421	2.3231	1.3757	1.4435		2.2945	1.0853
H6	3.2786	2.1287	3.3771	1.0853	2.2945		2.8313
H7	3.2786	3.3771	2.1287	2.2945	1.0853	2.8313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	103.667	O1	N3	C5	103.667
N2	O1	N3	110.749	N2	C4	C5	110.958
N2	C4	H6	119.297	N3	C5	C4	110.958
N3	C5	H7	119.297	C4	C5	H7	129.745
C5	C4	H6	129.745

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)