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	hartrees
Energy at 0K	-263.986382
Energy at 298.15K	-263.992023
Nuclear repulsion energy	206.281467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3108	9.63
2	A₁	3120	3084	0.26
3	A₁	1567	1549	3.54
4	A₁	1434	1418	1.06
5	A₁	1190	1177	0.05
6	A₁	1135	1122	0.02
7	A₁	1066	1054	11.21
8	A₁	985	974	6.41
9	A₁	657	650	1.91
10	A₂	974	962	0.00
11	A₂	906	896	0.00
12	A₂	740	731	0.00
13	A₂	344	340	0.00
14	B₁	941	931	0.05
15	B₁	729	720	45.40
16	B₁	340	336	8.86
17	B₂	3131	3096	21.10
18	B₂	3115	3079	5.64
19	B₂	1559	1541	4.08
20	B₂	1387	1371	14.87
21	B₂	1269	1255	1.64
22	B₂	1054	1042	0.37
23	B₂	1020	1008	0.46
24	B₂	609	602	0.01

Atom	y (Å)	z (Å)
C1	0.697	1.188
C2	-0.697	1.188
C3	-1.330	-0.066
C4	1.330	-0.066
H5	1.280	2.113
H6	-1.280	2.113
H7	-2.422	-0.154
H8	2.422	-0.154
N9	0.672	-1.242
N10	-0.672	-1.242

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3931	2.3831	1.4049	1.0941	2.1828	3.3949	2.1858	2.4300	2.7887
C2	1.3931		1.4049	2.3831	2.1828	1.0941	2.1858	3.3949	2.7887	2.4300
C3	2.3831	1.4049		2.6599	3.4005	2.1798	1.0954	3.7528	2.3216	1.3475
C4	1.4049	2.3831	2.6599		2.1798	3.4005	3.7528	1.0954	1.3475	2.3216
H5	1.0941	2.1828	3.4005	2.1798		2.5610	4.3414	2.5385	3.4099	3.8818
H6	2.1828	1.0941	2.1798	3.4005	2.5610		2.5385	4.3414	3.8818	3.4099
H7	3.3949	2.1858	1.0954	3.7528	4.3414	2.5385		4.8436	3.2792	2.0604
H8	2.1858	3.3949	3.7528	1.0954	2.5385	4.3414	4.8436		2.0604	3.2792
N9	2.4300	2.7887	2.3216	1.3475	3.4099	3.8818	3.2792	2.0604		1.3437
N10	2.7887	2.4300	1.3475	2.3216	3.8818	3.4099	2.0604	3.2792	1.3437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.798	C1	C2	H6	122.257
C1	C4	H8	121.414	C1	C4	N9	123.966
C2	C1	C4	116.798	C2	C1	H5	122.257
C2	C3	H7	121.414	C2	C3	N10	123.966
C3	C2	H6	120.945	C3	N10	N9	119.236
C4	C1	H5	120.945	C4	N9	N10	119.236
H7	C3	N10	114.621	H8	C4	N9	114.621

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: PBEPBE/6-31+G**

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	0.131
2	C	0.131
3	C	-0.392
4	C	-0.392
5	H	0.161
6	H	0.161
7	H	0.163
8	H	0.163
9	N	-0.062
10	N	-0.062

<r²>	117.809
(<r²>)^1/2	10.854

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)