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	hartrees
Energy at 0K	-44.681946
Energy at 298.15K	-44.687732
Nuclear repulsion energy	103.479189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3116	12.10
2	A₁	3176	3095	5.75
3	A₁	1575	1535	5.49
4	A₁	1444	1407	7.45
5	A₁	1182	1152	0.18
6	A₁	1143	1114	0.40
7	A₁	1051	1024	7.41
8	A₁	943	919	5.82
9	A₁	666	649	1.36
10	A₂	1020	994	0.00
11	A₂	938	914	0.00
12	A₂	725	707	0.00
13	A₂	375	365	0.00
14	B₁	977	952	0.20
15	B₁	776	756	58.29
16	B₁	373	364	9.71
17	B₂	3187	3105	39.14
18	B₂	3163	3082	0.02
19	B₂	1559	1519	4.31
20	B₂	1413	1377	18.51
21	B₂	1288	1255	3.04
22	B₂	1067	1040	1.68
23	B₂	1019	993	0.00
24	B₂	622	606	0.15

Atom	y (Å)	z (Å)
C1	0.702	1.183
C2	-0.702	1.183
C3	-1.353	-0.077
C4	1.353	-0.077
H5	1.279	2.103
H6	-1.279	2.103
H7	-2.435	-0.164
H8	2.435	-0.164
N9	0.691	-1.273
N10	-0.691	-1.273

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.4042	2.4101	1.4177	1.0865	2.1846	3.4143	2.1950	2.4554	2.8228
C2	1.4042		1.4177	2.4101	2.1846	1.0865	2.1950	3.4143	2.8228	2.4554
C3	2.4101	1.4177		2.7053	3.4175	2.1815	1.0863	3.7891	2.3674	1.3668
C4	1.4177	2.4101	2.7053		2.1815	3.4175	3.7891	1.0863	1.3668	2.3674
H5	1.0865	2.1846	3.4175	2.1815		2.5582	4.3518	2.5450	3.4269	3.9085
H6	2.1846	1.0865	2.1815	3.4175	2.5582		2.5450	4.3518	3.9085	3.4269
H7	3.4143	2.1950	1.0863	3.7891	4.3518	2.5450		4.8710	3.3169	2.0674
H8	2.1950	3.4143	3.7891	1.0863	2.5450	4.3518	4.8710		2.0674	3.3169
N9	2.4554	2.8228	2.3674	1.3668	3.4269	3.9085	3.3169	2.0674		1.3812
N10	2.8228	2.4554	1.3668	2.3674	3.9085	3.4269	2.0674	3.3169	1.3812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.315	C1	C2	H6	122.079
C1	C4	H8	121.903	C1	C4	N9	123.712
C2	C1	C4	117.315	C2	C1	H5	122.079
C2	C3	H7	121.903	C2	C3	N10	123.712
C3	C2	H6	120.606	C3	N10	N9	118.973
C4	C1	H5	120.606	C4	N9	N10	118.973
H7	C3	N10	114.385	H8	C4	N9	114.385

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYP/CEP-121G

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	-0.032
2	C	-0.032
3	C	-0.359
4	C	-0.359
5	H	0.187
6	H	0.187
7	H	0.165
8	H	0.165
9	N	0.040
10	N	0.040

<r²>	96.881
(<r²>)^1/2	9.843

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)