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	hartrees
Energy at 0K	-261.650680
Energy at 298.15K
HF Energy	-260.644174
Nuclear repulsion energy	163.052197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3292	3292
2	A₁	1454	1454
3	A₁	1335	1335
4	A₁	1061	1061
5	A₁	1018	1018
6	A₁	884	884
7	A₂	885	885
8	A₂	642	642
9	B₁	857	857
10	B₁	636	636
11	B₂	3278	3278
12	B₂	1564	1564
13	B₂	1199	1199
14	B₂	952	952
15	B₂	868	868

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	1.407	-1.705
H7	-1.407	-1.705

	O1	N2	N3	C4	C5	H6	H7
O1		1.3748	1.3748	2.1348	2.1348	3.1649	3.1649
N2	1.3748		2.2713	1.3082	2.2239	2.0780	3.2723
N3	1.3748	2.2713		2.2239	1.3082	3.2723	2.0780
C4	2.1348	1.3082	2.2239		1.4240	1.0766	2.2727
C5	2.1348	2.2239	1.3082	1.4240		2.2727	1.0766
H6	3.1649	2.0780	3.2723	1.0766	2.2727		2.8133
H7	3.1649	3.2723	2.0780	2.2727	1.0766	2.8133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.409	O1	N3	C5	105.409
N2	O1	N3	111.391	N2	C4	C5	108.895
N2	C4	H6	120.923	N3	C5	C4	108.895
N3	C5	H7	120.923	C4	C5	H7	130.181
C5	C4	H6	130.181

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)