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	hartrees
Energy at 0K	-260.877601
Energy at 298.15K	-260.883012
Nuclear repulsion energy	203.061781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3501	3091	14.43
2	A₁	3460	3055	0.44
3	A₁	1689	1491	11.42
4	A₁	1515	1338	18.23
5	A₁	1223	1080	0.20
6	A₁	1162	1026	0.00
7	A₁	1093	965	1.30
8	A₁	992	876	0.13
9	A₁	672	593	0.67
10	A₂	1061	937	0.00
11	A₂	964	851	0.00
12	A₂	769	679	0.00
13	A₂	359	317	0.00
14	B₁	1007	890	0.04
15	B₁	777	686	17.67
16	B₁	359	317	4.67
17	B₂	3485	3077	11.31
18	B₂	3455	3051	7.01
19	B₂	1683	1486	5.87
20	B₂	1484	1310	26.20
21	B₂	1315	1161	2.53
22	B₂	1123	991	4.69
23	B₂	1060	936	0.13
24	B₂	632	558	0.03

Atom	y (Å)	z (Å)
C1	0.697	1.202
C2	-0.697	1.202
C3	-1.339	-0.048
C4	1.339	-0.048
H5	1.278	2.132
H6	-1.278	2.132
H7	-2.438	-0.112
H8	2.438	-0.112
N9	0.704	-1.277
N10	-0.704	-1.277

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3931	2.3887	1.4055	1.0966	2.1824	3.3983	2.1811	2.4791	2.8471
C2	1.3931		1.4055	2.3887	2.1824	1.0966	2.1811	3.3983	2.8471	2.4791
C3	2.3887	1.4055		2.6779	3.4058	2.1808	1.1005	3.7770	2.3837	1.3836
C4	1.4055	2.3887	2.6779		2.1808	3.4058	3.7770	1.1005	1.3836	2.3837
H5	1.0966	2.1824	3.4058	2.1808		2.5558	4.3403	2.5256	3.4570	3.9429
H6	2.1824	1.0966	2.1808	3.4058	2.5558		2.5256	4.3403	3.9429	3.4570
H7	3.3983	2.1811	1.1005	3.7770	4.3403	2.5256		4.8751	3.3503	2.0893
H8	2.1811	3.3983	3.7770	1.1005	2.5256	4.3403	4.8751		2.0893	3.3503
N9	2.4791	2.8471	2.3837	1.3836	3.4570	3.9429	3.3503	2.0893		1.4070
N10	2.8471	2.4791	1.3836	2.3837	3.9429	3.4570	2.0893	3.3503	1.4070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.198	C1	C2	H6	122.014
C1	C4	H8	120.515	C1	C4	N9	125.462
C2	C1	C4	117.198	C2	C1	H5	122.014
C2	C3	H7	120.515	C2	C3	N10	125.462
C3	C2	H6	120.788	C3	N10	N9	117.340
C4	C1	H5	120.788	C4	N9	N10	117.340
H7	C3	N10	114.023	H8	C4	N9	114.023

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B1B95/STO-3G

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	-0.076
2	C	-0.076
3	C	-0.006
4	C	-0.006
5	H	0.103
6	H	0.103
7	H	0.104
8	H	0.104
9	N	-0.125
10	N	-0.125

<r²>	118.864
(<r²>)^1/2	10.902

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)