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	hartrees
Energy at 0K	-262.691406
Energy at 298.15K	-262.697324
HF Energy	-262.691406
Nuclear repulsion energy	206.255478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3106	0.57
2	A₁	3222	3051	1.15
3	A₁	1637	1550	8.34
4	A₁	1463	1386	8.89
5	A₁	1226	1161	0.57
6	A₁	1152	1091	2.23
7	A₁	1084	1027	2.09
8	A₁	906	858	4.21
9	A₁	700	663	2.20
10	A₂	1107	1049	0.00
11	A₂	1003	950	0.00
12	A₂	798	756	0.00
13	A₂	388	367	0.00
14	B₁	1054	998	0.01
15	B₁	817	774	59.52
16	B₁	404	383	10.15
17	B₂	3264	3091	1.70
18	B₂	3219	3049	6.64
19	B₂	1595	1511	2.01
20	B₂	1470	1392	27.40
21	B₂	1337	1266	1.79
22	B₂	1099	1041	2.96
23	B₂	1055	999	0.01
24	B₂	644	610	0.17

Atom	y (Å)	z (Å)
C1	0.690	1.183
C2	-0.690	1.183
C3	-1.333	-0.064
C4	1.333	-0.064
H5	1.267	2.098
H6	-1.267	2.098
H7	-2.413	-0.129
H8	2.413	-0.129
N9	0.693	-1.240
N10	-0.693	-1.240

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3799	2.3765	1.4029	1.0818	2.1604	3.3689	2.1656	2.4230	2.7897
C2	1.3799		1.4029	2.3765	2.1604	1.0818	2.1656	3.3689	2.7897	2.4230
C3	2.3765	1.4029		2.6665	3.3815	2.1626	1.0818	3.7470	2.3426	1.3395
C4	1.4029	2.3765	2.6665		2.1626	3.3815	3.7470	1.0818	1.3395	2.3426
H5	1.0818	2.1604	3.3815	2.1626		2.5342	4.3014	2.5042	3.3871	3.8707
H6	2.1604	1.0818	2.1626	3.3815	2.5342		2.5042	4.3014	3.8707	3.3871
H7	3.3689	2.1656	1.0818	3.7470	4.3014	2.5042		4.8263	3.2986	2.0483
H8	2.1656	3.3689	3.7470	1.0818	2.5042	4.3014	4.8263		2.0483	3.2986
N9	2.4230	2.7897	2.3426	1.3395	3.3871	3.8707	3.2986	2.0483		1.3851
N10	2.7897	2.4230	1.3395	2.3426	3.8707	3.3871	2.0483	3.2986	1.3851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.295	C1	C2	H6	122.244
C1	C4	H8	120.738	C1	C4	N9	124.131
C2	C1	C4	117.295	C2	C1	H5	122.244
C2	C3	H7	120.738	C2	C3	N10	124.131
C3	C2	H6	120.461	C3	N10	N9	118.575
C4	C1	H5	120.461	C4	N9	N10	118.575
H7	C3	N10	115.131	H8	C4	N9	115.131

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: M06-2X/3-21G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.230
2	C	-0.230
3	C	0.040
4	C	0.040
5	H	0.237
6	H	0.237
7	H	0.252
8	H	0.252
9	N	-0.298
10	N	-0.298

<r²>	117.519
(<r²>)^1/2	10.841

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)