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	hartrees
Energy at 0K	-264.192651
Energy at 298.15K	-264.198503
HF Energy	-264.192651
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3083	5.95
2	A₁	3228	3062	1.76
3	A₁	1658	1573	6.29
4	A₁	1515	1437	1.52
5	A₁	1217	1154	0.06
6	A₁	1196	1134	0.11
7	A₁	1119	1061	13.74
8	A₁	1038	985	8.14
9	A₁	689	654	3.00
10	A₂	1037	983	0.00
11	A₂	953	904	0.00
12	A₂	778	738	0.00
13	A₂	381	362	0.00
14	B₁	991	940	0.07
15	B₁	775	735	38.28
16	B₁	382	362	9.64
17	B₂	3238	3072	25.44
18	B₂	3222	3056	5.17
19	B₂	1659	1573	3.10
20	B₂	1467	1392	20.77
21	B₂	1340	1271	2.21
22	B₂	1105	1048	0.90
23	B₂	1064	1009	1.72
24	B₂	637	604	0.01

Atom	y (Å)	z (Å)
C1	0.692	1.175
C2	-0.692	1.175
C3	-1.321	-0.066
C4	1.321	-0.066
H5	1.257	2.098
H6	-1.257	2.098
H7	-2.399	-0.144
H8	2.399	-0.144
N9	0.654	-1.230
N10	-0.654	-1.230

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3836	2.3645	1.3916	1.0819	2.1564	3.3607	2.1578	2.4055	2.7562
C2	1.3836		1.3916	2.3645	2.1564	1.0819	2.1578	3.3607	2.7562	2.4055
C3	2.3645	1.3916		2.6411	3.3656	2.1646	1.0812	3.7203	2.2922	1.3410
C4	1.3916	2.3645	2.6411		2.1646	3.3656	3.7203	1.0812	1.3410	2.2922
H5	1.0819	2.1564	3.3656	2.1646		2.5149	4.2890	2.5158	3.3816	3.8374
H6	2.1564	1.0819	2.1646	3.3656	2.5149		2.5158	4.2890	3.8374	3.3816
H7	3.3607	2.1578	1.0812	3.7203	4.2890	2.5158		4.7978	3.2404	2.0547
H8	2.1578	3.3607	3.7203	1.0812	2.5158	4.2890	4.7978		2.0547	3.2404
N9	2.4055	2.7562	2.2922	1.3410	3.3816	3.8374	3.2404	2.0547		1.3085
N10	2.7562	2.4055	1.3410	2.2922	3.8374	3.3816	2.0547	3.2404	1.3085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.860	C1	C2	H6	121.523
C1	C4	H8	121.014	C1	C4	N9	123.345
C2	C1	C4	116.860	C2	C1	H5	121.523
C2	C3	H7	121.014	C2	C3	N10	123.345
C3	C2	H6	121.617	C3	N10	N9	119.795
C4	C1	H5	121.617	C4	N9	N10	119.795
H7	C3	N10	115.641	H8	C4	N9	115.641

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: wB97X-D/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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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	-0.158
2	C	-0.158
3	C	0.011
4	C	0.011
5	H	0.196
6	H	0.196
7	H	0.194
8	H	0.194
9	N	-0.243
10	N	-0.243

<r²>	115.231
(<r²>)^1/2	10.735

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)