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	hartrees
Energy at 0K	-261.398788
Energy at 298.15K
HF Energy	-260.574802
Nuclear repulsion energy	161.898717

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	3323	3186	1.35	108.75	0.08	0.14
2	A₁	1422	1364	27.86	6.48	0.73	0.85
3	A₁	1269	1217	1.90	29.03	0.03	0.05
4	A₁	1078	1034	0.75	6.63	0.28	0.44
5	A₁	1021	979	15.51	10.13	0.09	0.17
6	A₁	897	860	11.81	5.35	0.08	0.16
7	A₂	853	818	0.00	0.05	0.75	0.86
8	A₂	638	611	0.00	0.37	0.75	0.86
9	B₁	835	801	43.78	0.03	0.75	0.86
10	B₁	655	629	1.64	0.07	0.75	0.86
11	B₂	3306	3171	1.20	52.89	0.75	0.86
12	B₂	1477	1416	0.19	0.80	0.75	0.86
13	B₂	1163	1115	5.60	0.00	0.75	0.86
14	B₂	958	919	14.15	1.96	0.75	0.86
15	B₂	906	869	0.56	0.74	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.132
N2	1.142	0.368
N3	-1.142	0.368
C4	0.707	-0.897
C5	-0.707	-0.897
H6	1.418	-1.719
H7	-1.418	-1.719

	O1	N2	N3	C4	C5	H6	H7
O1		1.3743	1.3743	2.1494	2.1494	3.1850	3.1850
N2	1.3743		2.2838	1.3380	2.2399	2.1054	3.3028
N3	1.3743	2.2838		2.2399	1.3380	3.3028	2.1054
C4	2.1494	1.3380	2.2399		1.4130	1.0870	2.2778
C5	2.1494	2.2399	1.3380	1.4130		2.2778	1.0870
H6	3.1850	2.1054	3.3028	1.0870	2.2778		2.8356
H7	3.1850	3.3028	2.1054	2.2778	1.0870	2.8356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.822	O1	N3	C5	104.822
N2	O1	N3	112.378	N2	C4	C5	108.989
N2	C4	H6	120.143	N3	C5	C4	108.989
N3	C5	H7	120.143	C4	C5	H7	130.869
C5	C4	H6	130.869

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/aug-cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)