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	hartrees
Energy at 0K	-44.702641
Energy at 298.15K	-44.708378
Nuclear repulsion energy	104.415296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	3092	8.96
2	A₁	3200	3063	0.09
3	A₁	1639	1569	3.94
4	A₁	1480	1417	1.04
5	A₁	1259	1205	0.50
6	A₁	1151	1102	1.03
7	A₁	1105	1058	16.68
8	A₁	1028	984	5.66
9	A₁	653	625	1.50
10	A₂	1034	990	0.00
11	A₂	949	908	0.00
12	A₂	760	727	0.00
13	A₂	355	340	0.00
14	B₁	992	950	0.01
15	B₁	777	744	61.08
16	B₁	367	351	8.36
17	B₂	3213	3075	22.79
18	B₂	3190	3053	11.32
19	B₂	1629	1559	2.57
20	B₂	1414	1354	22.00
21	B₂	1300	1244	1.82
22	B₂	1073	1027	0.04
23	B₂	1016	973	0.43
24	B₂	598	572	0.31

Atom	y (Å)	z (Å)
C1	0.701	1.200
C2	-0.701	1.200
C3	-1.329	-0.074
C4	1.329	-0.074
H5	1.290	2.120
H6	-1.290	2.120
H7	-2.420	-0.165
H8	2.420	-0.165
N9	0.669	-1.244
N10	-0.669	-1.244

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.4022	2.3969	1.4208	1.0925	2.1936	3.4070	2.1954	2.4445	2.8021
C2	1.4022		1.4208	2.3969	2.1936	1.0925	2.1954	3.4070	2.8021	2.4445
C3	2.3969	1.4208		2.6578	3.4170	2.1950	1.0952	3.7504	2.3152	1.3431
C4	1.4208	2.3969	2.6578		2.1950	3.4170	3.7504	1.0952	1.3431	2.3152
H5	1.0925	2.1936	3.4170	2.1950		2.5804	4.3578	2.5495	3.4213	3.8933
H6	2.1936	1.0925	2.1950	3.4170	2.5804		2.5495	4.3578	3.8933	3.4213
H7	3.4070	2.1954	1.0952	3.7504	4.3578	2.5495		4.8408	3.2724	2.0571
H8	2.1954	3.4070	3.7504	1.0952	2.5495	4.3578	4.8408		2.0571	3.2724
N9	2.4445	2.8021	2.3152	1.3431	3.4213	3.8933	3.2724	2.0571		1.3380
N10	2.8021	2.4445	1.3431	2.3152	3.8933	3.4213	2.0571	3.2724	1.3380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.224	C1	C2	H6	122.629
C1	C4	H8	120.973	C1	C4	N9	124.349
C2	C1	C4	116.224	C2	C1	H5	122.629
C2	C3	H7	120.973	C2	C3	N10	124.349
C3	C2	H6	121.147	C3	N10	N9	119.427
C4	C1	H5	121.147	C4	N9	N10	119.427
H7	C3	N10	114.678	H8	C4	N9	114.678

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B1B95/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	-0.217
2	C	-0.217
3	C	-0.511
4	C	-0.511
5	H	0.315
6	H	0.315
7	H	0.251
8	H	0.251
9	N	0.161
10	N	0.161

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B1B95/CEP-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)