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	hartrees
Energy at 0K	-261.227457
Energy at 298.15K
HF Energy	-260.567972
Nuclear repulsion energy	165.005799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3410	3143	1.16
2	A₁	1571	1448	12.47
3	A₁	1423	1311	5.04
4	A₁	1116	1029	31.93
5	A₁	1092	1006	1.92
6	A₁	971	895	26.20
7	A₂	961	886	0.00
8	A₂	684	631	0.00
9	B₁	916	844	34.41
10	B₁	682	629	1.00
11	B₂	3395	3129	0.13
12	B₂	1702	1569	0.03
13	B₂	1261	1162	3.62
14	B₂	1055	972	0.69
15	B₂	1011	932	24.72

Atom	y (Å)	z (Å)
O1	0.000	1.110
N2	1.114	0.358
N3	-1.114	0.358
C4	0.714	-0.875
C5	-0.714	-0.875
H6	1.418	-1.696
H7	-1.418	-1.696

	O1	N2	N3	C4	C5	H6	H7
O1		1.3433	1.3433	2.1093	2.1093	3.1434	3.1434
N2	1.3433		2.2272	1.2968	2.2047	2.0766	3.2600
N3	1.3433	2.2272		2.2047	1.2968	3.2600	2.0766
C4	2.1093	1.2968	2.2047		1.4273	1.0813	2.2839
C5	2.1093	2.2047	1.2968	1.4273		2.2839	1.0813
H6	3.1434	2.0766	3.2600	1.0813	2.2839		2.8355
H7	3.1434	3.2600	2.0766	2.2839	1.0813	2.8355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	106.040	O1	N3	C5	106.040
N2	O1	N3	111.991	N2	C4	C5	107.964
N2	C4	H6	121.407	N3	C5	C4	107.964
N3	C5	H7	121.407	C4	C5	H7	130.628
C5	C4	H6	130.628

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CISD/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: CISD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)