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	hartrees
Energy at 0K	-264.231092
Energy at 298.15K	-264.236886
Nuclear repulsion energy	204.777038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3125	9.61
2	A₁	3226	3101	1.94
3	A₁	1595	1534	5.53
4	A₁	1455	1398	8.73
5	A₁	1198	1152	0.18
6	A₁	1162	1117	0.23
7	A₁	1066	1025	9.05
8	A₁	962	925	5.69
9	A₁	675	648	1.18
10	A₂	1042	1002	0.00
11	A₂	940	904	0.00
12	A₂	774	744	0.00
13	A₂	380	365	0.00
14	B₁	987	949	0.09
15	B₁	778	748	71.46
16	B₁	375	360	9.63
17	B₂	3237	3112	27.11
18	B₂	3215	3091	0.04
19	B₂	1577	1516	4.29
20	B₂	1425	1370	23.99
21	B₂	1302	1252	2.48
22	B₂	1080	1038	0.54
23	B₂	1036	996	0.01
24	B₂	629	605	0.27

Atom	y (Å)	z (Å)
C1	0.700	1.192
C2	-0.700	1.192
C3	-1.348	-0.061
C4	1.348	-0.061
H5	1.275	2.113
H6	-1.275	2.113
H7	-2.430	-0.147
H8	2.430	-0.147
N9	0.684	-1.250
N10	-0.684	-1.250

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3998	2.4012	1.4114	1.0855	2.1788	3.4049	2.1884	2.4427	2.8074
C2	1.3998		1.4114	2.4012	2.1788	1.0855	2.1884	3.4049	2.8074	2.4427
C3	2.4012	1.4114		2.6957	3.4070	2.1759	1.0858	3.7791	2.3540	1.3616
C4	1.4114	2.4012	2.6957		2.1759	3.4070	3.7791	1.0858	1.3616	2.3540
H5	1.0855	2.1788	3.4070	2.1759		2.5497	4.3403	2.5387	3.4149	3.8922
H6	2.1788	1.0855	2.1759	3.4070	2.5497		2.5387	4.3403	3.8922	3.4149
H7	3.4049	2.1884	1.0858	3.7791	4.3403	2.5387		4.8605	3.3037	2.0654
H8	2.1884	3.4049	3.7791	1.0858	2.5387	4.3403	4.8605		2.0654	3.3037
N9	2.4427	2.8074	2.3540	1.3616	3.4149	3.8922	3.3037	2.0654		1.3679
N10	2.8074	2.4427	1.3616	2.3540	3.8922	3.4149	2.0654	3.3037	1.3679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.327	C1	C2	H6	121.981
C1	C4	H8	121.866	C1	C4	N9	123.489
C2	C1	C4	117.327	C2	C1	H5	121.981
C2	C3	H7	121.866	C2	C3	N10	123.489
C3	C2	H6	120.692	C3	N10	N9	119.184
C4	C1	H5	120.692	C4	N9	N10	119.184
H7	C3	N10	114.645	H8	C4	N9	114.645

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYP/SDD

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	-0.167
2	C	-0.167
3	C	-0.274
4	C	-0.274
5	H	0.242
6	H	0.242
7	H	0.247
8	H	0.247
9	N	-0.048
10	N	-0.048

<r²>	119.080
(<r²>)^1/2	10.912

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)