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	hartrees
Energy at 0K	-262.699347
Energy at 298.15K	-262.705184
Nuclear repulsion energy	206.545162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3114	1.84
2	A₁	3226	3086	2.46
3	A₁	1609	1539	8.68
4	A₁	1453	1390	8.09
5	A₁	1219	1166	0.28
6	A₁	1154	1104	2.70
7	A₁	1068	1022	1.77
8	A₁	894	855	4.18
9	A₁	689	659	1.91
10	A₂	1071	1025	0.00
11	A₂	976	934	0.00
12	A₂	788	754	0.00
13	A₂	369	353	0.00
14	B₁	1026	982	0.15
15	B₁	786	752	59.34
16	B₁	382	366	9.40
17	B₂	3239	3099	12.29
18	B₂	3221	3082	7.05
19	B₂	1576	1508	3.23
20	B₂	1453	1390	24.11
21	B₂	1322	1265	1.97
22	B₂	1089	1042	2.48
23	B₂	1043	998	0.09
24	B₂	633	605	0.16

Atom	y (Å)	z (Å)
C1	0.690	1.181
C2	-0.690	1.181
C3	-1.329	-0.062
C4	1.329	-0.062
H5	1.265	2.096
H6	-1.265	2.096
H7	-2.409	-0.127
H8	2.409	-0.127
N9	0.692	-1.240
N10	-0.692	-1.240

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3792	2.3703	1.3974	1.0814	2.1585	3.3629	2.1598	2.4212	2.7876
C2	1.3792		1.3974	2.3703	2.1585	1.0814	2.1598	3.3629	2.7876	2.4212
C3	2.3703	1.3974		2.6575	3.3743	2.1592	1.0820	3.7381	2.3391	1.3396
C4	1.3974	2.3703	2.6575		2.1592	3.3743	3.7381	1.0820	1.3396	2.3391
H5	1.0814	2.1585	3.3743	2.1592		2.5302	4.2940	2.4999	3.3856	3.8682
H6	2.1585	1.0814	2.1592	3.3743	2.5302		2.4999	4.2940	3.8682	3.3856
H7	3.3629	2.1598	1.0820	3.7381	4.2940	2.4999		4.8176	3.2946	2.0466
H8	2.1598	3.3629	3.7381	1.0820	2.4999	4.2940	4.8176		2.0466	3.2946
N9	2.4212	2.7876	2.3391	1.3396	3.3856	3.8682	3.2946	2.0466		1.3836
N10	2.7876	2.4212	1.3396	2.3391	3.8682	3.3856	2.0466	3.2946	1.3836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.217	C1	C2	H6	122.152
C1	C4	H8	120.645	C1	C4	N9	124.392
C2	C1	C4	117.217	C2	C1	H5	122.152
C2	C3	H7	120.645	C2	C3	N10	124.392
C3	C2	H6	120.630	C3	N10	N9	118.391
C4	C1	H5	120.630	C4	N9	N10	118.391
H7	C3	N10	114.963	H8	C4	N9	114.963

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B1B95/3-21G

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	-0.227
2	C	-0.227
3	C	0.035
4	C	0.035
5	H	0.237
6	H	0.237
7	H	0.253
8	H	0.253
9	N	-0.298
10	N	-0.298

<r²>	117.015
(<r²>)^1/2	10.817

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)