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	hartrees
Energy at 0K	-264.096003
Energy at 298.15K	-264.101861
Nuclear repulsion energy	206.444154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3122	3.02
2	A₁	3241	3103	5.59
3	A₁	1620	1552	6.40
4	A₁	1483	1420	7.24
5	A₁	1221	1169	0.00
6	A₁	1183	1133	0.76
7	A₁	1087	1041	5.37
8	A₁	982	941	7.98
9	A₁	690	661	1.67
10	A₂	1050	1005	0.00
11	A₂	964	923	0.00
12	A₂	776	743	0.00
13	A₂	381	365	0.00
14	B₁	1010	967	0.11
15	B₁	779	746	52.14
16	B₁	379	363	11.11
17	B₂	3251	3114	24.65
18	B₂	3227	3091	0.04
19	B₂	1609	1541	3.84
20	B₂	1456	1395	21.31
21	B₂	1323	1268	2.75
22	B₂	1104	1057	1.82
23	B₂	1049	1005	0.02
24	B₂	643	616	0.10

Atom	y (Å)	z (Å)
C1	0.695	1.182
C2	-0.695	1.182
C3	-1.336	-0.062
C4	1.336	-0.062
H5	1.269	2.102
H6	-1.269	2.102
H7	-2.416	-0.147
H8	2.416	-0.147
N9	0.678	-1.239
N10	-0.678	-1.239

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3891	2.3810	1.3993	1.0841	2.1680	3.3821	2.1742	2.4213	2.7831
C2	1.3891		1.3993	2.3810	2.1680	1.0841	2.1742	3.3821	2.7831	2.4213
C3	2.3810	1.3993		2.6716	3.3858	2.1645	1.0832	3.7524	2.3325	1.3489
C4	1.3993	2.3810	2.6716		2.1645	3.3858	3.7524	1.0832	1.3489	2.3325
H5	1.0841	2.1680	3.3858	2.1645		2.5374	4.3161	2.5239	3.3927	3.8665
H6	2.1680	1.0841	2.1645	3.3858	2.5374		2.5239	4.3161	3.8665	3.3927
H7	3.3821	2.1742	1.0832	3.7524	4.3161	2.5239		4.8312	3.2806	2.0528
H8	2.1742	3.3821	3.7524	1.0832	2.5239	4.3161	4.8312		2.0528	3.2806
N9	2.4213	2.7831	2.3325	1.3489	3.3927	3.8665	3.2806	2.0528		1.3554
N10	2.7831	2.4213	1.3489	2.3325	3.8665	3.3927	2.0528	3.2806	1.3554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.273	C1	C2	H6	121.976
C1	C4	H8	121.764	C1	C4	N9	123.527
C2	C1	C4	117.273	C2	C1	H5	121.976
C2	C3	H7	121.764	C2	C3	N10	123.527
C3	C2	H6	120.751	C3	N10	N9	119.200
C4	C1	H5	120.751	C4	N9	N10	119.200
H7	C3	N10	114.709	H8	C4	N9	114.709

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3PW91/6-31G

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	-0.139
2	C	-0.139
3	C	-0.021
4	C	-0.021
5	H	0.194
6	H	0.194
7	H	0.201
8	H	0.201
9	N	-0.235
10	N	-0.235

<r²>	117.279
(<r²>)^1/2	10.830

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)