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	hartrees
Energy at 0K	-261.643704
Energy at 298.15K
HF Energy	-260.634126
Nuclear repulsion energy	162.996802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3289	3120
2	A₁	1457	1382
3	A₁	1334	1265
4	A₁	1059	1005
5	A₁	1017	964
6	A₁	885	840
7	A₂	902	855
8	A₂	647	614
9	B₁	861	816
10	B₁	638	605
11	B₂	3275	3106
12	B₂	1568	1487
13	B₂	1198	1136
14	B₂	954	905
15	B₂	868	824

Atom	y (Å)	z (Å)
O1	0.000	1.130
N2	1.136	0.355
N3	-1.136	0.355
C4	0.712	-0.883
C5	-0.712	-0.883
H6	1.406	-1.706
H7	-1.406	-1.706

	O1	N2	N3	C4	C5	H6	H7
O1		1.3755	1.3755	2.1358	2.1358	3.1661	3.1661
N2	1.3755		2.2721	1.3089	2.2244	2.0789	3.2727
N3	1.3755	2.2721		2.2244	1.3089	3.2727	2.0789
C4	2.1358	1.3089	2.2244		1.4236	1.0767	2.2721
C5	2.1358	2.2244	1.3089	1.4236		2.2721	1.0767
H6	3.1661	2.0789	3.2727	1.0767	2.2721		2.8119
H7	3.1661	3.2727	2.0789	2.2721	1.0767	2.8119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.405	O1	N3	C5	105.405
N2	O1	N3	111.367	N2	C4	C5	108.912
N2	C4	H6	120.947	N3	C5	C4	108.912
N3	C5	H7	120.947	C4	C5	H7	130.141
C5	C4	H6	130.141

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD(T)/cc-pVTZ

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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)