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	hartrees
Energy at 0K	-261.408738
Energy at 298.15K
HF Energy	-260.600435
Nuclear repulsion energy	164.100211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3303	3154	0.17
2	A₁	1497	1430	16.45
3	A₁	1376	1314	3.68
4	A₁	1080	1031	18.69
5	A₁	1065	1017	7.54
6	A₁	940	897	25.06
7	A₂	872	833	0.00
8	A₂	653	624	0.00
9	B₁	861	822	42.36
10	B₁	654	624	0.61
11	B₂	3289	3141	0.03
12	B₂	1624	1551	0.21
13	B₂	1227	1172	5.15
14	B₂	1025	979	2.35
15	B₂	983	939	16.92

Atom	y (Å)	z (Å)
O1	0.000	1.118
N2	1.122	0.358
N3	-1.122	0.358
C4	0.714	-0.880
C5	-0.714	-0.880
H6	1.418	-1.700
H7	-1.418	-1.700

	O1	N2	N3	C4	C5	H6	H7
O1		1.3549	1.3549	2.1213	2.1213	3.1542	3.1542
N2	1.3549		2.2445	1.3041	2.2147	2.0794	3.2696
N3	1.3549	2.2445		2.2147	1.3041	3.2696	2.0794
C4	2.1213	1.3041	2.2147		1.4277	1.0809	2.2843
C5	2.1213	2.2147	1.3041	1.4277		2.2843	1.0809
H6	3.1542	2.0794	3.2696	1.0809	2.2843		2.8366
H7	3.1542	3.2696	2.0794	2.2843	1.0809	2.8366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.826	O1	N3	C5	105.826
N2	O1	N3	111.846	N2	C4	C5	108.251
N2	C4	H6	121.072	N3	C5	C4	108.251
N3	C5	H7	121.072	C4	C5	H7	130.677
C5	C4	H6	130.677

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)