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	hartrees
Energy at 0K	-262.725437
Energy at 298.15K	-262.731076
Nuclear repulsion energy	203.585479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3128	7.07
2	A₁	3106	3089	3.04
3	A₁	1540	1532	8.33
4	A₁	1394	1386	5.26
5	A₁	1188	1182	0.33
6	A₁	1091	1085	2.36
7	A₁	1007	1002	0.72
8	A₁	790	786	2.15
9	A₁	669	665	1.64
10	A₂	1017	1011	0.00
11	A₂	933	928	0.00
12	A₂	752	748	0.00
13	A₂	348	346	0.00
14	B₁	974	968	0.16
15	B₁	750	746	45.70
16	B₁	354	352	7.85
17	B₂	3128	3111	15.48
18	B₂	3103	3086	19.15
19	B₂	1498	1489	5.05
20	B₂	1407	1400	17.37
21	B₂	1261	1254	1.31
22	B₂	1051	1045	2.29
23	B₂	1001	996	0.73
24	B₂	620	616	0.06

Atom	y (Å)	z (Å)
C1	0.697	1.197
C2	-0.697	1.197
C3	-1.345	-0.059
C4	1.345	-0.059
H5	1.276	2.120
H6	-1.276	2.120
H7	-2.435	-0.115
H8	2.435	-0.115
N9	0.712	-1.261
N10	-0.712	-1.261

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3931	2.3965	1.4129	1.0901	2.1781	3.3953	2.1779	2.4580	2.8331
C2	1.3931		1.4129	2.3965	2.1781	1.0901	2.1779	3.3953	2.8331	2.4580
C3	2.3965	1.4129		2.6897	3.4082	2.1796	1.0919	3.7806	2.3829	1.3588
C4	1.4129	2.3965	2.6897		2.1796	3.4082	3.7806	1.0919	1.3588	2.3829
H5	1.0901	2.1781	3.4082	2.1796		2.5525	4.3323	2.5172	3.4278	3.9225
H6	2.1781	1.0901	2.1796	3.4082	2.5525		2.5172	4.3323	3.9225	3.4278
H7	3.3953	2.1779	1.0919	3.7806	4.3323	2.5172		4.8706	3.3499	2.0696
H8	2.1779	3.3953	3.7806	1.0919	2.5172	4.3323	4.8706		2.0696	3.3499
N9	2.4580	2.8331	2.3829	1.3588	3.4278	3.9225	3.3499	2.0696		1.4246
N10	2.8331	2.4580	1.3588	2.3829	3.9225	3.4278	2.0696	3.3499	1.4246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.312	C1	C2	H6	122.128
C1	C4	H8	120.252	C1	C4	N9	124.944
C2	C1	C4	117.312	C2	C1	H5	122.128
C2	C3	H7	120.252	C2	C3	N10	124.944
C3	C2	H6	120.560	C3	N10	N9	117.743
C4	C1	H5	120.560	C4	N9	N10	117.743
H7	C3	N10	114.804	H8	C4	N9	114.804

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: BLYP/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	-0.173
2	C	-0.173
3	C	0.053
4	C	0.053
5	H	0.187
6	H	0.187
7	H	0.208
8	H	0.208
9	N	-0.276
10	N	-0.276

<r²>	119.841
(<r²>)^1/2	10.947

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)