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	hartrees
Energy at 0K	-44.667354
Energy at 298.15K	-44.673106
Nuclear repulsion energy	102.961909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3129	13.08
2	A₁	3205	3104	2.53
3	A₁	1590	1540	5.46
4	A₁	1441	1396	9.35
5	A₁	1185	1147	0.22
6	A₁	1149	1113	0.20
7	A₁	1060	1027	9.51
8	A₁	947	917	5.17
9	A₁	662	641	0.57
10	A₂	1040	1007	0.00
11	A₂	950	920	0.00
12	A₂	749	726	0.00
13	A₂	371	359	0.00
14	B₁	993	962	0.07
15	B₁	786	761	79.01
16	B₁	374	362	10.05
17	B₂	3216	3114	34.26
18	B₂	3187	3087	0.30
19	B₂	1563	1513	5.88
20	B₂	1405	1360	20.60
21	B₂	1284	1244	2.79
22	B₂	1063	1029	0.75
23	B₂	1012	980	0.11
24	B₂	612	593	0.92

Atom	y (Å)	z (Å)
C1	0.706	1.193
C2	-0.706	1.193
C3	-1.356	-0.080
C4	1.356	-0.080
H5	1.288	2.116
H6	-1.288	2.116
H7	-2.445	-0.168
H8	2.445	-0.168
N9	0.692	-1.280
N10	-0.692	-1.280

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.4127	2.4239	1.4296	1.0911	2.1979	3.4329	2.2083	2.4731	2.8409
C2	1.4127		1.4296	2.4239	2.1979	1.0911	2.2083	3.4329	2.8409	2.4731
C3	2.4239	1.4296		2.7124	3.4377	2.1974	1.0925	3.8024	2.3735	1.3714
C4	1.4296	2.4239	2.7124		2.1974	3.4377	3.8024	1.0925	1.3714	2.3735
H5	1.0911	2.1979	3.4377	2.1974		2.5768	4.3769	2.5604	3.4480	3.9311
H6	2.1979	1.0911	2.1974	3.4377	2.5768		2.5604	4.3769	3.9311	3.4480
H7	3.4329	2.2083	1.0925	3.8024	4.3769	2.5604		4.8903	3.3281	2.0762
H8	2.2083	3.4329	3.8024	1.0925	2.5604	4.3769	4.8903		2.0762	3.3281
N9	2.4731	2.8409	2.3735	1.3714	3.4480	3.9311	3.3281	2.0762		1.3836
N10	2.8409	2.4731	1.3714	2.3735	3.9311	3.4480	2.0762	3.3281	1.3836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.037	C1	C2	H6	122.238
C1	C4	H8	121.651	C1	C4	N9	123.984
C2	C1	C4	117.037	C2	C1	H5	122.238
C2	C3	H7	121.651	C2	C3	N10	123.984
C3	C2	H6	120.725	C3	N10	N9	118.979
C4	C1	H5	120.725	C4	N9	N10	118.979
H7	C3	N10	114.365	H8	C4	N9	114.365

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYP/CEP-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	-0.193
2	C	-0.193
3	C	-0.460
4	C	-0.460
5	H	0.300
6	H	0.300
7	H	0.252
8	H	0.252
9	N	0.101
10	N	0.101

<r²>	97.485
(<r²>)^1/2	9.873

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)