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	hartrees
Energy at 0K	-261.862103
Energy at 298.15K
HF Energy	-261.580271
Nuclear repulsion energy	162.625344

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	3302	3302	0.90	109.77	0.08	0.15
2	A₁	1443	1443	20.09	15.95	0.34	0.51
3	A₁	1330	1330	1.68	28.62	0.02	0.05
4	A₁	1063	1063	1.07	5.17	0.22	0.36
5	A₁	1022	1022	14.29	8.68	0.10	0.19
6	A₁	886	886	20.11	8.04	0.09	0.17
7	A₂	907	907	0.00	0.04	0.75	0.86
8	A₂	652	652	0.00	0.13	0.75	0.86
9	B₁	854	854	41.38	0.05	0.75	0.86
10	B₁	646	646	1.74	0.23	0.75	0.86
11	B₂	3289	3289	0.46	58.04	0.75	0.86
12	B₂	1551	1551	0.03	0.01	0.75	0.86
13	B₂	1186	1186	4.75	0.44	0.75	0.86
14	B₂	959	959	19.82	2.52	0.75	0.86
15	B₂	839	839	2.40	0.41	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.131
N2	1.139	0.358
N3	-1.139	0.358
C4	0.711	-0.886
C5	-0.711	-0.886
H6	1.411	-1.713
H7	-1.411	-1.713

	O1	N2	N3	C4	C5	H6	H7
O1		1.3766	1.3766	2.1390	2.1390	3.1752	3.1752
N2	1.3766		2.2774	1.3151	2.2293	2.0887	3.2850
N3	1.3766	2.2774		2.2293	1.3151	3.2850	2.0887
C4	2.1390	1.3151	2.2293		1.4227	1.0835	2.2781
C5	2.1390	2.2293	1.3151	1.4227		2.2781	1.0835
H6	3.1752	2.0887	3.2850	1.0835	2.2781		2.8227
H7	3.1752	3.2850	2.0887	2.2781	1.0835	2.8227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.225	O1	N3	C5	105.225
N2	O1	N3	111.626	N2	C4	C5	108.962
N2	C4	H6	120.796	N3	C5	C4	108.962
N3	C5	H7	120.796	C4	C5	H7	130.242
C5	C4	H6	130.242

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: B2PLYP=FULL/daug-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: B2PLYP=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)