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	hartrees
Energy at 0K	-264.282493
Energy at 298.15K	-264.288379
HF Energy	-264.282493
Nuclear repulsion energy	209.216275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3226	3086	5.86
2	A₁	3200	3061	0.08
3	A₁	1642	1571	4.14
4	A₁	1502	1437	1.62
5	A₁	1190	1139	0.06
6	A₁	1182	1131	0.03
7	A₁	1108	1060	12.43
8	A₁	1030	985	7.45
9	A₁	686	656	3.13
10	A₂	1040	995	0.00
11	A₂	951	909	0.00
12	A₂	786	752	0.00
13	A₂	379	363	0.00
14	B₁	996	953	0.01
15	B₁	773	739	43.86
16	B₁	377	361	9.40
17	B₂	3212	3073	16.15
18	B₂	3195	3056	5.66
19	B₂	1642	1571	2.88
20	B₂	1455	1392	19.56
21	B₂	1330	1272	2.87
22	B₂	1098	1050	0.92
23	B₂	1067	1021	1.13
24	B₂	638	611	0.10

Atom	y (Å)	z (Å)
C1	0.689	1.169
C2	-0.689	1.169
C3	-1.316	-0.066
C4	1.316	-0.066
H5	1.251	2.087
H6	-1.251	2.087
H7	-2.389	-0.143
H8	2.389	-0.143
N9	0.651	-1.224
N10	-0.651	-1.224

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3772	2.3542	1.3848	1.0766	2.1460	3.3457	2.1478	2.3932	2.7424
C2	1.3772		1.3848	2.3542	2.1460	1.0766	2.1478	3.3457	2.7424	2.3932
C3	2.3542	1.3848		2.6317	3.3501	2.1535	1.0761	3.7059	2.2826	1.3355
C4	1.3848	2.3542	2.6317		2.1535	3.3501	3.7059	1.0761	1.3355	2.2826
H5	1.0766	2.1460	3.3501	2.1535		2.5024	4.2690	2.5035	3.3648	3.8184
H6	2.1460	1.0766	2.1535	3.3501	2.5024		2.5035	4.2690	3.8184	3.3648
H7	3.3457	2.1478	1.0761	3.7059	4.2690	2.5035		4.7784	3.2267	2.0469
H8	2.1478	3.3457	3.7059	1.0761	2.5035	4.2690	4.7784		2.0469	3.2267
N9	2.3932	2.7424	2.2826	1.3355	3.3648	3.8184	3.2267	2.0469		1.3021
N10	2.7424	2.3932	1.3355	2.2826	3.8184	3.3648	2.0469	3.2267	1.3021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.933	C1	C2	H6	121.504
C1	C4	H8	121.051	C1	C4	N9	123.213
C2	C1	C4	116.933	C2	C1	H5	121.504
C2	C3	H7	121.051	C2	C3	N10	123.213
C3	C2	H6	121.564	C3	N10	N9	119.855
C4	C1	H5	121.564	C4	N9	N10	119.855
H7	C3	N10	115.736	H8	C4	N9	115.736

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.216
2	C	-0.216
3	C	-0.290
4	C	-0.290
5	H	0.353
6	H	0.353
7	H	0.558
8	H	0.558
9	N	-0.406
10	N	-0.406

<r²>	114.788
(<r²>)^1/2	10.714

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)