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	hartrees
Energy at 0K	-264.232404
Energy at 298.15K	-264.238214
Nuclear repulsion energy	208.902789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3087	10.96
2	A₁	3192	3060	0.93
3	A₁	1634	1566	5.57
4	A₁	1496	1434	1.32
5	A₁	1213	1163	0.00
6	A₁	1176	1128	0.11
7	A₁	1106	1060	14.93
8	A₁	1030	988	7.40
9	A₁	676	648	2.75
10	A₂	1013	971	0.00
11	A₂	943	904	0.00
12	A₂	770	739	0.00
13	A₂	369	354	0.00
14	B₁	979	938	0.04
15	B₁	760	728	46.24
16	B₁	372	357	8.77
17	B₂	3206	3073	27.33
18	B₂	3187	3055	10.25
19	B₂	1634	1566	3.47
20	B₂	1446	1386	19.32
21	B₂	1322	1267	2.51
22	B₂	1088	1043	0.48
23	B₂	1052	1008	1.58
24	B₂	624	598	0.00

Atom	y (Å)	z (Å)
C1	0.688	1.174
C2	-0.688	1.174
C3	-1.313	-0.068
C4	1.313	-0.068
H5	1.267	2.090
H6	-1.267	2.090
H7	-2.395	-0.157
H8	2.395	-0.157
N9	0.662	-1.224
N10	-0.662	-1.224

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3765	2.3560	1.3911	1.0833	2.1593	3.3581	2.1644	2.3990	2.7526
C2	1.3765		1.3911	2.3560	2.1593	1.0833	2.1644	3.3581	2.7526	2.3990
C3	2.3560	1.3911		2.6269	3.3643	2.1586	1.0847	3.7091	2.2888	1.3272
C4	1.3911	2.3560	2.6269		2.1586	3.3643	3.7091	1.0847	1.3272	2.2888
H5	1.0833	2.1593	3.3643	2.1586		2.5349	4.2965	2.5139	3.3692	3.8349
H6	2.1593	1.0833	2.1586	3.3643	2.5349		2.5139	4.2965	3.8349	3.3692
H7	3.3581	2.1644	1.0847	3.7091	4.2965	2.5139		4.7891	3.2374	2.0350
H8	2.1644	3.3581	3.7091	1.0847	2.5139	4.2965	4.7891		2.0350	3.2374
N9	2.3990	2.7526	2.2888	1.3272	3.3692	3.8349	3.2374	2.0350		1.3237
N10	2.7526	2.3990	1.3272	2.2888	3.8349	3.3692	2.0350	3.2374	1.3237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.709	C1	C2	H6	122.320
C1	C4	H8	121.414	C1	C4	N9	123.886
C2	C1	C4	116.709	C2	C1	H5	122.320
C2	C3	H7	121.414	C2	C3	N10	123.886
C3	C2	H6	120.970	C3	N10	N9	119.405
C4	C1	H5	120.970	C4	N9	N10	119.405
H7	C3	N10	114.701	H8	C4	N9	114.701

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B1B95/6-311G*

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	-0.208
2	C	-0.208
3	C	-0.062
4	C	-0.062
5	H	0.220
6	H	0.220
7	H	0.228
8	H	0.228
9	N	-0.178
10	N	-0.178

<r²>	114.918
(<r²>)^1/2	10.720

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)