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	hartrees
Energy at 0K	-262.709674
Energy at 298.15K	-262.715517
Nuclear repulsion energy	206.089966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3117	2.21
2	A₁	3213	3088	2.46
3	A₁	1606	1543	9.18
4	A₁	1450	1394	8.16
5	A₁	1220	1173	0.30
6	A₁	1152	1107	2.69
7	A₁	1065	1024	1.97
8	A₁	891	856	4.31
9	A₁	694	667	1.95
10	A₂	1068	1027	0.00
11	A₂	974	936	0.00
12	A₂	787	757	0.00
13	A₂	370	356	0.00
14	B₁	1024	984	0.13
15	B₁	784	754	60.92
16	B₁	383	368	9.61
17	B₂	3227	3102	12.20
18	B₂	3208	3084	8.18
19	B₂	1571	1510	3.89
20	B₂	1453	1396	23.84
21	B₂	1318	1267	1.91
22	B₂	1091	1048	2.34
23	B₂	1045	1004	0.14
24	B₂	640	615	0.13

Atom	y (Å)	z (Å)
C1	0.691	1.183
C2	-0.691	1.183
C3	-1.331	-0.062
C4	1.331	-0.062
H5	1.269	2.100
H6	-1.269	2.100
H7	-2.414	-0.124
H8	2.414	-0.124
N9	0.693	-1.244
N10	-0.693	-1.244

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3821	2.3751	1.4003	1.0835	2.1635	3.3689	2.1627	2.4270	2.7941
C2	1.3821		1.4003	2.3751	2.1635	1.0835	2.1627	3.3689	2.7941	2.4270
C3	2.3751	1.4003		2.6627	3.3815	2.1628	1.0842	3.7456	2.3444	1.3428
C4	1.4003	2.3751	2.6627		2.1628	3.3815	3.7456	1.0842	1.3428	2.3444
H5	1.0835	2.1635	3.3815	2.1628		2.5375	4.3020	2.5015	3.3927	3.8768
H6	2.1635	1.0835	2.1628	3.3815	2.5375		2.5015	4.3020	3.8768	3.3927
H7	3.3689	2.1627	1.0842	3.7456	4.3020	2.5015		4.8275	3.3027	2.0525
H8	2.1627	3.3689	3.7456	1.0842	2.5015	4.3020	4.8275		2.0525	3.3027
N9	2.4270	2.7941	2.3444	1.3428	3.3927	3.8768	3.3027	2.0525		1.3869
N10	2.7941	2.4270	1.3428	2.3444	3.8768	3.3927	2.0525	3.3027	1.3869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.211	C1	C2	H6	122.223
C1	C4	H8	120.497	C1	C4	N9	124.426
C2	C1	C4	117.211	C2	C1	H5	122.223
C2	C3	H7	120.497	C2	C3	N10	124.426
C3	C2	H6	120.565	C3	N10	N9	118.363
C4	C1	H5	120.565	C4	N9	N10	118.363
H7	C3	N10	115.077	H8	C4	N9	115.077

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3PW91/3-21G

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	-0.233
2	C	-0.233
3	C	0.034
4	C	0.034
5	H	0.242
6	H	0.242
7	H	0.258
8	H	0.258
9	N	-0.301
10	N	-0.301

<r²>	117.450
(<r²>)^1/2	10.837

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)