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	hartrees
Energy at 0K	-261.613601
Energy at 298.15K
HF Energy	-260.635409
Nuclear repulsion energy	163.361724

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	3319	3162	1.80	105.26	0.07	0.14
2	A₁	1424	1357	26.54	6.30	0.73	0.84
3	A₁	1281	1221	1.39	28.35	0.03	0.05
4	A₁	1085	1034	0.37	6.56	0.23	0.37
5	A₁	1038	989	17.46	10.52	0.09	0.17
6	A₁	911	868	11.08	4.66	0.08	0.15
7	A₂	890	848	0.00	0.06	0.75	0.86
8	A₂	650	620	0.00	0.34	0.75	0.86
9	B₁	854	814	41.47	0.03	0.75	0.86
10	B₁	666	635	1.92	0.09	0.75	0.86
11	B₂	3303	3147	1.60	50.53	0.75	0.86
12	B₂	1491	1421	0.17	0.71	0.75	0.86
13	B₂	1179	1124	5.27	0.01	0.75	0.86
14	B₂	968	922	14.56	1.50	0.75	0.86
15	B₂	933	889	1.05	0.94	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.124
N2	1.131	0.364
N3	-1.131	0.364
C4	0.700	-0.890
C5	-0.700	-0.890
H6	1.404	-1.703
H7	-1.404	-1.703

	O1	N2	N3	C4	C5	H6	H7
O1		1.3631	1.3631	2.1321	2.1321	3.1563	3.1563
N2	1.3631		2.2622	1.3252	2.2190	2.0843	3.2702
N3	1.3631	2.2622		2.2190	1.3252	3.2702	2.0843
C4	2.1321	1.3252	2.2190		1.4004	1.0752	2.2554
C5	2.1321	2.2190	1.3252	1.4004		2.2554	1.0752
H6	3.1563	2.0843	3.2702	1.0752	2.2554		2.8070
H7	3.1563	3.2702	2.0843	2.2554	1.0752	2.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.945	O1	N3	C5	104.945
N2	O1	N3	112.162	N2	C4	C5	108.975
N2	C4	H6	120.173	N3	C5	C4	108.975
N3	C5	H7	120.173	C4	C5	H7	130.852
C5	C4	H6	130.852

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/aug-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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)