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	hartrees
Energy at 0K	-261.610834
Energy at 298.15K
HF Energy	-260.640325
Nuclear repulsion energy	163.845884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3307	3183	0.64
2	A₁	1503	1447	15.07
3	A₁	1364	1313	5.82
4	A₁	1064	1024	2.00
5	A₁	1037	998	17.34
6	A₁	902	868	23.70
7	A₂	914	879	0.00
8	A₂	654	630	0.00
9	B₁	880	847	37.27
10	B₁	644	620	1.63
11	B₂	3292	3168	0.19
12	B₂	1622	1561	0.01
13	B₂	1220	1174	3.20
14	B₂	971	935	21.02
15	B₂	928	893	0.52

Atom	y (Å)	z (Å)
O1	0.000	1.125
N2	1.128	0.352
N3	-1.128	0.352
C4	0.713	-0.878
C5	-0.713	-0.878
H6	1.407	-1.699
H7	-1.407	-1.699

	O1	N2	N3	C4	C5	H6	H7
O1		1.3672	1.3672	2.1257	2.1257	3.1548	3.1548
N2	1.3672		2.2560	1.2982	2.2139	2.0699	3.2609
N3	1.3672	2.2560		2.2139	1.2982	3.2609	2.0699
C4	2.1257	1.2982	2.2139		1.4256	1.0753	2.2734
C5	2.1257	2.2139	1.2982	1.4256		2.2734	1.0753
H6	3.1548	2.0699	3.2609	1.0753	2.2734		2.8142
H7	3.1548	3.2609	2.0699	2.2734	1.0753	2.8142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.758	O1	N3	C5	105.758
N2	O1	N3	111.181	N2	C4	C5	108.652
N2	C4	H6	121.130	N3	C5	C4	108.652
N3	C5	H7	121.130	C4	C5	H7	130.219
C5	C4	H6	130.219

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD/aug-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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)