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	hartrees
Energy at 0K	-264.384047
Energy at 298.15K	-264.389909
HF Energy	-264.384047
Nuclear repulsion energy	208.565226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3197	3093	7.55
2	A₁	3170	3067	0.08
3	A₁	1610	1558	4.27
4	A₁	1480	1431	0.99
5	A₁	1180	1142	0.00
6	A₁	1172	1134	0.02
7	A₁	1090	1055	10.92
8	A₁	1008	976	7.43
9	A₁	682	659	3.11
10	A₂	1032	998	0.00
11	A₂	951	920	0.00
12	A₂	781	755	0.00
13	A₂	378	366	0.00
14	B₁	993	961	0.02
15	B₁	768	743	41.59
16	B₁	376	364	8.90
17	B₂	3183	3080	16.42
18	B₂	3165	3062	7.50
19	B₂	1604	1552	3.54
20	B₂	1444	1397	16.41
21	B₂	1315	1272	2.79
22	B₂	1087	1052	1.52
23	B₂	1061	1027	0.74
24	B₂	636	615	0.11

Atom	y (Å)	z (Å)
C1	0.688	1.175
C2	-0.688	1.175
C3	-1.320	-0.071
C4	1.320	-0.071
H5	1.267	2.088
H6	-1.267	2.088
H7	-2.400	-0.150
H8	2.400	-0.150
N9	0.663	-1.223
N10	-0.663	-1.223

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3762	2.3633	1.3969	1.0813	2.1578	3.3606	2.1649	2.3977	2.7521
C2	1.3762		1.3969	2.3633	2.1578	1.0813	2.1649	3.3606	2.7521	2.3977
C3	2.3633	1.3969		2.6404	3.3697	2.1598	1.0830	3.7214	2.2936	1.3260
C4	1.3969	2.3633	2.6404		2.1598	3.3697	3.7214	1.0830	1.3260	2.2936
H5	1.0813	2.1578	3.3697	2.1598		2.5338	4.2962	2.5087	3.3655	3.8324
H6	2.1578	1.0813	2.1598	3.3697	2.5338		2.5087	4.2962	3.8324	3.3655
H7	3.3606	2.1649	1.0830	3.7214	4.2962	2.5087		4.8008	3.2460	2.0418
H8	2.1649	3.3606	3.7214	1.0830	2.5087	4.2962	4.8008		2.0418	3.2460
N9	2.3977	2.7521	2.2936	1.3260	3.3655	3.8324	3.2460	2.0418		1.3263
N10	2.7521	2.3977	1.3260	2.2936	3.8324	3.3655	2.0418	3.2460	1.3263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.904	C1	C2	H6	122.361
C1	C4	H8	121.086	C1	C4	N9	123.393
C2	C1	C4	116.904	C2	C1	H5	122.361
C2	C3	H7	121.086	C2	C3	N10	123.393
C3	C2	H6	120.735	C3	N10	N9	119.703
C4	C1	H5	120.735	C4	N9	N10	119.703
H7	C3	N10	115.521	H8	C4	N9	115.521

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYPultrafine/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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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	-0.179
2	C	-0.179
3	C	-0.300
4	C	-0.300
5	H	0.284
6	H	0.284
7	H	0.563
8	H	0.563
9	N	-0.369
10	N	-0.369

<r²>	115.651
(<r²>)^1/2	10.754

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)