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	hartrees
Energy at 0K	-260.959191
Energy at 298.15K
HF Energy	-260.383961
Nuclear repulsion energy	157.110004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3281	3162	2.07
2	A₁	1443	1390	11.75
3	A₁	1311	1263	9.66
4	A₁	1045	1007	0.22
5	A₁	915	882	0.41
6	A₁	721	695	13.42
7	A₂	852	821	0.00
8	A₂	618	596	0.00
9	B₁	849	818	45.71
10	B₁	563	542	0.97
11	B₂	3266	3147	0.00
12	B₂	1560	1503	3.93
13	B₂	1221	1176	9.96
14	B₂	945	911	11.56
15	B₂	626	603	0.38

Atom	y (Å)	z (Å)
O1	0.000	1.196
N2	1.201	0.337
N3	-1.201	0.337
C4	0.728	-0.899
C5	-0.728	-0.899
H6	1.397	-1.752
H7	-1.397	-1.752

	O1	N2	N3	C4	C5	H6	H7
O1		1.4761	1.4761	2.2172	2.2172	3.2619	3.2619
N2	1.4761		2.4017	1.3235	2.2905	2.0984	3.3338
N3	1.4761	2.4017		2.2905	1.3235	3.3338	2.0984
C4	2.2172	1.3235	2.2905		1.4552	1.0845	2.2896
C5	2.2172	2.2905	1.3235	1.4552		2.2896	1.0845
H6	3.2619	2.0984	3.3338	1.0845	2.2896		2.7941
H7	3.2619	3.3338	2.0984	2.2896	1.0845	2.7941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.608	O1	N3	C5	104.608
N2	O1	N3	108.883	N2	C4	C5	110.951
N2	C4	H6	120.929	N3	C5	C4	110.951
N3	C5	H7	120.929	C4	C5	H7	128.120
C5	C4	H6	128.120

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)