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	hartrees
Energy at 0K	-261.324382
Energy at 298.15K
HF Energy	-260.541389
Nuclear repulsion energy	162.968310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3318	3133	0.41
2	A₁	1517	1433	13.71
3	A₁	1378	1301	5.18
4	A₁	1083	1023	0.66
5	A₁	1037	979	17.82
6	A₁	914	863	23.99
7	A₂	867	819	0.00
8	A₂	646	610	0.00
9	B₁	861	813	38.10
10	B₁	639	603	0.60
11	B₂	3305	3121	0.00
12	B₂	1637	1546	0.62
13	B₂	1235	1166	5.01
14	B₂	976	921	20.59
15	B₂	944	891	0.28

Atom	y (Å)	z (Å)
O1	0.000	1.131
N2	1.136	0.354
N3	-1.136	0.354
C4	0.714	-0.882
C5	-0.714	-0.882
H6	1.409	-1.710
H7	-1.409	-1.710

	O1	N2	N3	C4	C5	H6	H7
O1		1.3760	1.3760	2.1353	2.1353	3.1714	3.1714
N2	1.3760		2.2719	1.3062	2.2246	2.0825	3.2773
N3	1.3760	2.2719		2.2246	1.3062	3.2773	2.0825
C4	2.1353	1.3062	2.2246		1.4273	1.0819	2.2789
C5	2.1353	2.2246	1.3062	1.4273		2.2789	1.0819
H6	3.1714	2.0825	3.2773	1.0819	2.2789		2.8187
H7	3.1714	3.2773	2.0825	2.2789	1.0819	2.8187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.492	O1	N3	C5	105.492
N2	O1	N3	111.288	N2	C4	C5	108.864
N2	C4	H6	121.115	N3	C5	C4	108.864
N3	C5	H7	121.115	C4	C5	H7	130.021
C5	C4	H6	130.021

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)