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	hartrees
Energy at 0K	-262.812720
Energy at 298.15K	-262.818550
Nuclear repulsion energy	205.827607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3112	3.34
2	A₁	3203	3082	2.71
3	A₁	1601	1540	9.11
4	A₁	1446	1391	6.29
5	A₁	1221	1174	0.37
6	A₁	1141	1097	2.65
7	A₁	1057	1017	1.34
8	A₁	867	834	3.94
9	A₁	695	669	2.02
10	A₂	1066	1026	0.00
11	A₂	973	936	0.00
12	A₂	785	755	0.00
13	A₂	375	360	0.00
14	B₁	1021	982	0.08
15	B₁	784	754	50.78
16	B₁	388	373	9.09
17	B₂	3219	3097	13.17
18	B₂	3200	3078	11.20
19	B₂	1562	1503	3.83
20	B₂	1457	1402	21.65
21	B₂	1317	1267	1.85
22	B₂	1089	1048	2.76
23	B₂	1044	1004	0.33
24	B₂	642	618	0.09

Atom	y (Å)	z (Å)
C1	0.691	1.184
C2	-0.691	1.184
C3	-1.334	-0.062
C4	1.334	-0.062
H5	1.268	2.100
H6	-1.268	2.100
H7	-2.416	-0.121
H8	2.416	-0.121
N9	0.697	-1.245
N10	-0.697	-1.245

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3823	2.3778	1.4023	1.0824	2.1629	3.3700	2.1631	2.4292	2.7978
C2	1.3823		1.4023	2.3778	2.1629	1.0824	2.1631	3.3700	2.7978	2.4292
C3	2.3778	1.4023		2.6677	3.3832	2.1630	1.0834	3.7499	2.3501	1.3433
C4	1.4023	2.3778	2.6677		2.1630	3.3832	3.7499	1.0834	1.3433	2.3501
H5	1.0824	2.1629	3.3832	2.1630		2.5367	4.3019	2.5003	3.3933	3.8794
H6	2.1629	1.0824	2.1630	3.3832	2.5367		2.5003	4.3019	3.8794	3.3933
H7	3.3700	2.1631	1.0834	3.7499	4.3019	2.5003		4.8312	3.3090	2.0532
H8	2.1631	3.3700	3.7499	1.0834	2.5003	4.3019	4.8312		2.0532	3.3090
N9	2.4292	2.7978	2.3501	1.3433	3.3933	3.8794	3.3090	2.0532		1.3939
N10	2.7978	2.4292	1.3433	2.3501	3.8794	3.3933	2.0532	3.3090	1.3939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.278	C1	C2	H6	122.227
C1	C4	H8	120.425	C1	C4	N9	124.420
C2	C1	C4	117.278	C2	C1	H5	122.227
C2	C3	H7	120.425	C2	C3	N10	124.420
C3	C2	H6	120.496	C3	N10	N9	118.302
C4	C1	H5	120.496	C4	N9	N10	118.302
H7	C3	N10	115.155	H8	C4	N9	115.155

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYP/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	-0.201
2	C	-0.201
3	C	0.056
4	C	0.056
5	H	0.212
6	H	0.212
7	H	0.230
8	H	0.230
9	N	-0.297
10	N	-0.297

<r²>	117.762
(<r²>)^1/2	10.852

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)