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	hartrees
Energy at 0K	-264.287586
Energy at 298.15K	-264.293393
Nuclear repulsion energy	207.594590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3084	8.91
2	A₁	3195	3060	1.81
3	A₁	1625	1557	6.17
4	A₁	1493	1430	0.80
5	A₁	1205	1154	0.00
6	A₁	1181	1132	0.00
7	A₁	1100	1054	10.85
8	A₁	1015	972	8.45
9	A₁	683	654	2.94
10	A₂	1017	974	0.00
11	A₂	946	907	0.00
12	A₂	768	735	0.00
13	A₂	377	361	0.00
14	B₁	978	937	0.01
15	B₁	765	733	30.29
16	B₁	377	362	8.71
17	B₂	3207	3072	26.67
18	B₂	3190	3056	9.29
19	B₂	1620	1552	3.74
20	B₂	1452	1391	16.92
21	B₂	1324	1268	2.29
22	B₂	1091	1045	1.56
23	B₂	1055	1011	1.37
24	B₂	632	606	0.01

Atom	y (Å)	z (Å)
C1	0.692	1.181
C2	-0.692	1.181
C3	-1.323	-0.068
C4	1.323	-0.068
H5	1.272	2.099
H6	-1.272	2.099
H7	-2.407	-0.152
H8	2.407	-0.152
N9	0.668	-1.232
N10	-0.668	-1.232

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3840	2.3705	1.3990	1.0861	2.1681	3.3736	2.1722	2.4133	2.7702
C2	1.3840		1.3990	2.3705	2.1681	1.0861	2.1722	3.3736	2.7702	2.4133
C3	2.3705	1.3990		2.6459	3.3807	2.1674	1.0875	3.7311	2.3068	1.3359
C4	1.3990	2.3705	2.6459		2.1674	3.3807	3.7311	1.0875	1.3359	2.3068
H5	1.0861	2.1681	3.3807	2.1674		2.5441	4.3132	2.5211	3.3857	3.8553
H6	2.1681	1.0861	2.1674	3.3807	2.5441		2.5211	4.3132	3.8553	3.3857
H7	3.3736	2.1722	1.0875	3.7311	4.3132	2.5211		4.8143	3.2597	2.0471
H8	2.1722	3.3736	3.7311	1.0875	2.5211	4.3132	4.8143		2.0471	3.2597
N9	2.4133	2.7702	2.3068	1.3359	3.3857	3.8553	3.2597	2.0471		1.3367
N10	2.7702	2.4133	1.3359	2.3068	3.8553	3.3857	2.0471	3.2597	1.3367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.809	C1	C2	H6	122.282
C1	C4	H8	121.254	C1	C4	N9	123.850
C2	C1	C4	116.809	C2	C1	H5	122.282
C2	C3	H7	121.254	C2	C3	N10	123.850
C3	C2	H6	120.909	C3	N10	N9	119.341
C4	C1	H5	120.909	C4	N9	N10	119.341
H7	C3	N10	114.896	H8	C4	N9	114.896

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYPultrafine/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	-0.115
2	C	-0.115
3	C	0.042
4	C	0.042
5	H	0.157
6	H	0.157
7	H	0.160
8	H	0.160
9	N	-0.243
10	N	-0.243

<r²>	115.963
(<r²>)^1/2	10.769

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)