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	hartrees
Energy at 0K	-260.945567
Energy at 298.15K	-260.950936
Nuclear repulsion energy	201.839736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3476	3102	11.28
2	A₁	3436	3066	0.23
3	A₁	1664	1485	12.07
4	A₁	1496	1335	15.20
5	A₁	1222	1090	0.17
6	A₁	1143	1020	0.01
7	A₁	1059	945	1.40
8	A₁	956	853	0.16
9	A₁	669	597	0.73
10	A₂	1050	937	0.00
11	A₂	954	851	0.00
12	A₂	756	675	0.00
13	A₂	358	319	0.00
14	B₁	995	888	0.03
15	B₁	771	688	16.98
16	B₁	357	319	4.52
17	B₂	3460	3088	8.58
18	B₂	3431	3062	5.15
19	B₂	1654	1476	6.45
20	B₂	1478	1319	22.97
21	B₂	1301	1161	2.25
22	B₂	1111	992	5.36
23	B₂	1055	942	0.04
24	B₂	633	565	0.01

Atom	y (Å)	z (Å)
C1	0.700	1.208
C2	-0.700	1.208
C3	-1.349	-0.047
C4	1.349	-0.047
H5	1.281	2.141
H6	-1.281	2.141
H7	-2.450	-0.109
H8	2.450	-0.109
N9	0.711	-1.285
N10	-0.711	-1.285

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3998	2.4025	1.4129	1.0988	2.1892	3.4138	2.1900	2.4930	2.8645
C2	1.3998		1.4129	2.4025	2.1892	1.0988	2.1900	3.4138	2.8645	2.4930
C3	2.4025	1.4129		2.6972	3.4205	2.1891	1.1027	3.7987	2.4028	1.3924
C4	1.4129	2.4025	2.6972		2.1891	3.4205	3.7987	1.1027	1.3924	2.4028
H5	1.0988	2.1892	3.4205	2.1891		2.5611	4.3562	2.5355	3.4729	3.9626
H6	2.1892	1.0988	2.1891	3.4205	2.5611		2.5355	4.3562	3.9626	3.4729
H7	3.4138	2.1900	1.1027	3.7987	4.3562	2.5355		4.8992	3.3721	2.0990
H8	2.1900	3.4138	3.7987	1.1027	2.5355	4.3562	4.8992		2.0990	3.3721
N9	2.4930	2.8645	2.4028	1.3924	3.4729	3.9626	3.3721	2.0990		1.4217
N10	2.8645	2.4930	1.3924	2.4028	3.9626	3.4729	2.0990	3.3721	1.4217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.329	C1	C2	H6	121.900
C1	C4	H8	120.544	C1	C4	N9	125.412
C2	C1	C4	117.329	C2	C1	H5	121.900
C2	C3	H7	120.544	C2	C3	N10	125.412
C3	C2	H6	120.772	C3	N10	N9	117.259
C4	C1	H5	120.772	C4	N9	N10	117.259
H7	C3	N10	114.043	H8	C4	N9	114.043

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3LYP/STO-3G

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	-0.072
2	C	-0.072
3	C	-0.003
4	C	-0.003
5	H	0.099
6	H	0.099
7	H	0.101
8	H	0.101
9	N	-0.124
10	N	-0.124

<r²>	120.071
(<r²>)^1/2	10.958

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)