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	hartrees
Energy at 0K	-261.900872
Energy at 298.15K
HF Energy	-261.598874
Nuclear repulsion energy	163.373372

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	3304	3304	0.06	91.77	0.12	0.21
2	A₁	1447	1447	18.67	16.60	0.43	0.60
3	A₁	1342	1342	2.31	16.13	0.09	0.17
4	A₁	1070	1070	1.37	4.85	0.36	0.53
5	A₁	1034	1034	12.74	5.97	0.27	0.42
6	A₁	900	900	23.33	7.49	0.14	0.24
7	A₂	883	883	0.00	1.21	0.75	0.86
8	A₂	654	654	0.00	0.13	0.75	0.86
9	B₁	853	853	42.20	0.23	0.75	0.86
10	B₁	652	652	1.03	0.42	0.75	0.86
11	B₂	3290	3290	0.04	55.52	0.75	0.86
12	B₂	1565	1565	0.18	0.00	0.75	0.86
13	B₂	1204	1204	5.90	0.52	0.75	0.86
14	B₂	973	973	19.98	4.92	0.75	0.86
15	B₂	854	854	3.05	0.40	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.126
N2	1.133	0.356
N3	-1.133	0.356
C4	0.709	-0.882
C5	-0.709	-0.882
H6	1.407	-1.703
H7	-1.407	-1.703

	O1	N2	N3	C4	C5	H6	H7
O1		1.3699	1.3699	2.1293	2.1293	3.1596	3.1596
N2	1.3699		2.2665	1.3087	2.2198	2.0773	3.2704
N3	1.3699	2.2665		2.2198	1.3087	3.2704	2.0773
C4	2.1293	1.3087	2.2198		1.4184	1.0778	2.2703
C5	2.1293	2.2198	1.3087	1.4184		2.2703	1.0778
H6	3.1596	2.0773	3.2704	1.0778	2.2703		2.8149
H7	3.1596	3.2704	2.0773	2.2703	1.0778	2.8149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.274	O1	N3	C5	105.274
N2	O1	N3	111.635	N2	C4	C5	108.908
N2	C4	H6	120.711	N3	C5	C4	108.908
N3	C5	H7	120.711	C4	C5	H7	130.380
C5	C4	H6	130.380

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)