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	hartrees
Energy at 0K	-44.752542
Energy at 298.15K	-44.758283
Nuclear repulsion energy	104.037414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3094	11.02
2	A₁	3176	3067	0.48
3	A₁	1614	1559	4.41
4	A₁	1464	1414	1.35
5	A₁	1211	1170	0.09
6	A₁	1150	1110	0.02
7	A₁	1089	1052	15.53
8	A₁	998	964	7.95
9	A₁	659	636	1.54
10	A₂	1022	987	0.00
11	A₂	944	912	0.00
12	A₂	751	725	0.00
13	A₂	364	351	0.00
14	B₁	981	947	0.00
15	B₁	777	750	68.01
16	B₁	375	362	8.20
17	B₂	3187	3078	28.73
18	B₂	3165	3056	8.28
19	B₂	1599	1544	3.49
20	B₂	1411	1362	20.29
21	B₂	1295	1251	2.15
22	B₂	1067	1030	0.23
23	B₂	1024	989	0.39
24	B₂	609	588	0.25

Atom	y (Å)	z (Å)
C1	0.702	1.187
C2	-0.702	1.187
C3	-1.335	-0.089
C4	1.335	-0.089
H5	1.291	2.108
H6	-1.291	2.108
H7	-2.428	-0.177
H8	2.428	-0.177
N9	0.676	-1.264
N10	-0.676	-1.264

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.4041	2.4039	1.4243	1.0935	2.1958	3.4140	2.1994	2.4511	2.8117
C2	1.4041		1.4243	2.4039	2.1958	1.0935	2.1994	3.4140	2.8117	2.4511
C3	2.4039	1.4243		2.6709	3.4243	2.1974	1.0960	3.7644	2.3295	1.3477
C4	1.4243	2.4039	2.6709		2.1974	3.4243	3.7644	1.0960	1.3477	2.3295
H5	1.0935	2.1958	3.4243	2.1974		2.5823	4.3647	2.5518	3.4279	3.9040
H6	2.1958	1.0935	2.1974	3.4243	2.5823		2.5518	4.3647	3.9040	3.4279
H7	3.4140	2.1994	1.0960	3.7644	4.3647	2.5518		4.8558	3.2888	2.0622
H8	2.1994	3.4140	3.7644	1.0960	2.5518	4.3647	4.8558		2.0622	3.2888
N9	2.4511	2.8117	2.3295	1.3477	3.4279	3.9040	3.2888	2.0622		1.3517
N10	2.8117	2.4511	1.3477	2.3295	3.9040	3.4279	2.0622	3.2888	1.3517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.405	C1	C2	H6	122.597
C1	C4	H8	120.990	C1	C4	N9	124.292
C2	C1	C4	116.405	C2	C1	H5	122.597
C2	C3	H7	120.990	C2	C3	N10	124.292
C3	C2	H6	120.998	C3	N10	N9	119.303
C4	C1	H5	120.998	C4	N9	N10	119.303
H7	C3	N10	114.718	H8	C4	N9	114.718

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYP/CEP-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	-0.222
2	C	-0.222
3	C	-0.495
4	C	-0.495
5	H	0.317
6	H	0.317
7	H	0.255
8	H	0.255
9	N	0.145
10	N	0.145

<r²>	95.471
(<r²>)^1/2	9.771

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)