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	hartrees
Energy at 0K	-261.702129
Energy at 298.15K
HF Energy	-260.638143
Nuclear repulsion energy	164.098847

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	3324	3324	1.81	103.48	0.07	0.14
2	A₁	1438	1438	26.16	6.38	0.74	0.85
3	A₁	1299	1299	0.90	28.63	0.03	0.05
4	A₁	1090	1090	0.37	6.43	0.23	0.37
5	A₁	1047	1047	17.65	10.16	0.09	0.17
6	A₁	916	916	11.67	4.36	0.08	0.15
7	A₂	926	926	0.00	0.05	0.75	0.86
8	A₂	660	660	0.00	0.29	0.75	0.86
9	B₁	882	882	40.27	0.04	0.75	0.86
10	B₁	673	673	2.50	0.09	0.75	0.86
11	B₂	3301	3301	1.63	49.33	0.75	0.86
12	B₂	1508	1508	0.12	0.63	0.75	0.86
13	B₂	1186	1186	5.39	0.01	0.75	0.86
14	B₂	972	972	15.51	1.59	0.75	0.86
15	B₂	937	937	0.43	0.74	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.119
N2	1.126	0.362
N3	-1.126	0.362
C4	0.698	-0.885
C5	-0.698	-0.885
H6	1.398	-1.696
H7	-1.398	-1.696

	O1	N2	N3	C4	C5	H6	H7
O1		1.3570	1.3570	2.1228	2.1228	3.1436	3.1436
N2	1.3570		2.2512	1.3183	2.2089	2.0756	3.2564
N3	1.3570	2.2512		2.2089	1.3183	3.2564	2.0756
C4	2.1228	1.3183	2.2089		1.3955	1.0715	2.2475
C5	2.1228	2.2089	1.3183	1.3955		2.2475	1.0715
H6	3.1436	2.0756	3.2564	1.0715	2.2475		2.7968
H7	3.1436	3.2564	2.0756	2.2475	1.0715	2.7968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.017	O1	N3	C5	105.017
N2	O1	N3	112.092	N2	C4	C5	108.937
N2	C4	H6	120.227	N3	C5	C4	108.937
N3	C5	H7	120.227	C4	C5	H7	130.837
C5	C4	H6	130.837

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2=FULL/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)