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	hartrees
Energy at 0K	-264.196844
Energy at 298.15K	-264.202670
Nuclear repulsion energy	208.938125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3089	6.98
2	A₁	3193	3058	0.50
3	A₁	1628	1559	6.02
4	A₁	1491	1428	1.27
5	A₁	1226	1174	0.24
6	A₁	1171	1122	0.13
7	A₁	1107	1061	12.45
8	A₁	1036	992	5.61
9	A₁	669	641	3.60
10	A₂	1029	986	0.00
11	A₂	955	915	0.00
12	A₂	788	755	0.00
13	A₂	370	355	0.00
14	B₁	991	949	0.02
15	B₁	771	738	28.71
16	B₁	370	355	8.31
17	B₂	3211	3075	16.04
18	B₂	3189	3054	11.70
19	B₂	1629	1560	3.35
20	B₂	1438	1377	19.07
21	B₂	1318	1262	2.44
22	B₂	1088	1042	0.89
23	B₂	1050	1006	2.48
24	B₂	617	591	0.08

Atom	y (Å)	z (Å)
C1	0.688	1.174
C2	-0.688	1.174
C3	-1.313	-0.068
C4	1.313	-0.068
H5	1.268	2.089
H6	-1.268	2.089
H7	-2.394	-0.153
H8	2.394	-0.153
N9	0.661	-1.225
N10	-0.661	-1.225

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3768	2.3552	1.3900	1.0832	2.1599	3.3564	2.1616	2.3991	2.7526
C2	1.3768		1.3900	2.3552	2.1599	1.0832	2.1616	3.3564	2.7526	2.3991
C3	2.3552	1.3900		2.6255	3.3635	2.1573	1.0850	3.7081	2.2881	1.3279
C4	1.3900	2.3552	2.6255		2.1573	3.3635	3.7081	1.0850	1.3279	2.2881
H5	1.0832	2.1599	3.3635	2.1573		2.5363	4.2945	2.5093	3.3690	3.8347
H6	2.1599	1.0832	2.1573	3.3635	2.5363		2.5093	4.2945	3.8347	3.3690
H7	3.3564	2.1616	1.0850	3.7081	4.2945	2.5093		4.7888	3.2380	2.0377
H8	2.1616	3.3564	3.7081	1.0850	2.5093	4.2945	4.7888		2.0377	3.2380
N9	2.3991	2.7526	2.2881	1.3279	3.3690	3.8347	3.2380	2.0377		1.3224
N10	2.7526	2.3991	1.3279	2.2881	3.8347	3.3690	2.0377	3.2380	1.3224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.690	C1	C2	H6	122.361
C1	C4	H8	121.211	C1	C4	N9	123.927
C2	C1	C4	116.690	C2	C1	H5	122.361
C2	C3	H7	121.211	C2	C3	N10	123.927
C3	C2	H6	120.948	C3	N10	N9	119.382
C4	C1	H5	120.948	C4	N9	N10	119.382
H7	C3	N10	114.862	H8	C4	N9	114.862

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.115
2	C	-0.115
3	C	0.039
4	C	0.039
5	H	0.133
6	H	0.133
7	H	0.135
8	H	0.135
9	N	-0.193
10	N	-0.193

<r²>	114.516
(<r²>)^1/2	10.701

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)