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	hartrees
Energy at 0K	-261.331478
Energy at 298.15K
HF Energy	-260.546292
Nuclear repulsion energy	163.481013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3369	3159	0.30
2	A₁	1521	1426	15.29
3	A₁	1388	1302	2.81
4	A₁	1093	1024	0.69
5	A₁	1055	989	22.69
6	A₁	934	876	21.12
7	A₂	887	832	0.00
8	A₂	650	609	0.00
9	B₁	875	820	34.08
10	B₁	647	607	0.67
11	B₂	3355	3146	0.01
12	B₂	1645	1542	0.37
13	B₂	1251	1173	4.27
14	B₂	1017	953	3.14
15	B₂	980	919	15.24

Atom	y (Å)	z (Å)
O1	0.000	1.125
N2	1.131	0.356
N3	-1.131	0.356
C4	0.712	-0.882
C5	-0.712	-0.882
H6	1.405	-1.704
H7	-1.405	-1.704

	O1	N2	N3	C4	C5	H6	H7
O1		1.3678	1.3678	2.1294	2.1294	3.1587	3.1587
N2	1.3678		2.2619	1.3066	2.2198	2.0778	3.2670
N3	1.3678	2.2619		2.2198	1.3066	3.2670	2.0778
C4	2.1294	1.3066	2.2198		1.4236	1.0754	2.2708
C5	2.1294	2.2198	1.3066	1.4236		2.2708	1.0754
H6	3.1587	2.0778	3.2670	1.0754	2.2708		2.8101
H7	3.1587	3.2670	2.0778	2.2708	1.0754	2.8101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.511	O1	N3	C5	105.511
N2	O1	N3	111.552	N2	C4	C5	108.713
N2	C4	H6	121.147	N3	C5	C4	108.713
N3	C5	H7	121.147	C4	C5	H7	130.140
C5	C4	H6	130.140

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)