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	hartrees
Energy at 0K	-264.010798
Energy at 298.15K
HF Energy	-263.734028
Nuclear repulsion energy	207.446648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3085	6.66
2	A₁	3229	3065	1.83
3	A₁	1631	1548	6.36
4	A₁	1497	1421	1.57
5	A₁	1225	1163	0.06
6	A₁	1191	1130	0.03
7	A₁	1104	1048	9.73
8	A₁	1008	957	8.13
9	A₁	682	647	2.80
10	A₂	994	943	0.00
11	A₂	945	897	0.00
12	A₂	751	712	0.00
13	A₂	372	353	0.00
14	B₁	971	922	0.00
15	B₁	766	727	34.32
16	B₁	376	357	9.07
17	B₂	3239	3074	25.11
18	B₂	3223	3059	4.81
19	B₂	1626	1544	4.64
20	B₂	1458	1384	17.07
21	B₂	1327	1260	2.36
22	B₂	1098	1042	1.79
23	B₂	1061	1007	1.36
24	B₂	632	600	0.01

Atom	y (Å)	z (Å)
C1	0.692	1.181
C2	-0.692	1.181
C3	-1.324	-0.066
C4	1.324	-0.066
H5	1.271	2.098
H6	-1.271	2.098
H7	-2.406	-0.151
H8	2.406	-0.151
N9	0.670	-1.234
N10	-0.670	-1.234

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3840	2.3704	1.3982	1.0845	2.1667	3.3719	2.1704	2.4157	2.7733
C2	1.3840		1.3982	2.3704	2.1667	1.0845	2.1704	3.3719	2.7733	2.4157
C3	2.3704	1.3982		2.6471	3.3789	2.1651	1.0855	3.7302	2.3109	1.3383
C4	1.3982	2.3704	2.6471		2.1651	3.3789	3.7302	1.0855	1.3383	2.3109
H5	1.0845	2.1667	3.3789	2.1651		2.5420	4.3100	2.5190	3.3863	3.8569
H6	2.1667	1.0845	2.1651	3.3789	2.5420		2.5190	4.3100	3.8569	3.3863
H7	3.3719	2.1704	1.0855	3.7302	4.3100	2.5190		4.8114	3.2614	2.0459
H8	2.1704	3.3719	3.7302	1.0855	2.5190	4.3100	4.8114		2.0459	3.2614
N9	2.4157	2.7733	2.3109	1.3383	3.3863	3.8569	3.2614	2.0459		1.3408
N10	2.7733	2.4157	1.3383	2.3109	3.8569	3.3863	2.0459	3.2614	1.3408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.851	C1	C2	H6	122.267
C1	C4	H8	121.313	C1	C4	N9	123.938
C2	C1	C4	116.851	C2	C1	H5	122.267
C2	C3	H7	121.313	C2	C3	N10	123.938
C3	C2	H6	120.882	C3	N10	N9	119.211
C4	C1	H5	120.882	C4	N9	N10	119.211
H7	C3	N10	114.749	H8	C4	N9	114.749

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B2PLYP/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	-0.152
2	C	-0.152
3	C	0.035
4	C	0.035
5	H	0.189
6	H	0.189
7	H	0.187
8	H	0.187
9	N	-0.259
10	N	-0.259

<r²>	116.183
(<r²>)^1/2	10.779

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)