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	hartrees
Energy at 0K	-264.210851
Energy at 298.15K	-264.216691
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3102	6.59
2	A₁	3211	3075	0.10
3	A₁	1641	1572	4.07
4	A₁	1493	1430	1.53
5	A₁	1232	1180	0.79
6	A₁	1167	1118	0.24
7	A₁	1109	1062	13.39
8	A₁	1041	997	4.99
9	A₁	671	643	3.07
10	A₂	1016	973	0.00
11	A₂	944	904	0.00
12	A₂	781	748	0.00
13	A₂	372	356	0.00
14	B₁	982	940	0.11
15	B₁	759	727	42.68
16	B₁	371	355	8.54
17	B₂	3225	3089	15.96
18	B₂	3206	3071	6.96
19	B₂	1642	1573	2.65
20	B₂	1436	1376	19.09
21	B₂	1312	1257	2.09
22	B₂	1089	1044	0.38
23	B₂	1051	1007	1.46
24	B₂	620	594	0.07

Atom	y (Å)	z (Å)
C1	0.690	1.176
C2	-0.690	1.176
C3	-1.317	-0.068
C4	1.317	-0.068
H5	1.271	2.095
H6	-1.271	2.095
H7	-2.402	-0.156
H8	2.402	-0.156
N9	0.661	-1.226
N10	-0.661	-1.226

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3796	2.3610	1.3930	1.0875	2.1658	3.3665	2.1691	2.4019	2.7556
C2	1.3796		1.3930	2.3610	2.1658	1.0875	2.1691	3.3665	2.7556	2.4019
C3	2.3610	1.3930		2.6338	3.3730	2.1633	1.0887	3.7201	2.2921	1.3306
C4	1.3930	2.3610	2.6338		2.1633	3.3730	3.7201	1.0887	1.3306	2.2921
H5	1.0875	2.1658	3.3730	2.1633		2.5426	4.3080	2.5187	3.3763	3.8421
H6	2.1658	1.0875	2.1633	3.3730	2.5426		2.5187	4.3080	3.8421	3.3763
H7	3.3665	2.1691	1.0887	3.7201	4.3080	2.5187		4.8043	3.2449	2.0435
H8	2.1691	3.3665	3.7201	1.0887	2.5187	4.3080	4.8043		2.0435	3.2449
N9	2.4019	2.7556	2.2921	1.3306	3.3763	3.8421	3.2449	2.0435		1.3225
N10	2.7556	2.4019	1.3306	2.2921	3.8421	3.3763	2.0435	3.2449	1.3225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.756	C1	C2	H6	122.323
C1	C4	H8	121.376	C1	C4	N9	123.722
C2	C1	C4	116.756	C2	C1	H5	122.323
C2	C3	H7	121.376	C2	C3	N10	123.722
C3	C2	H6	120.921	C3	N10	N9	119.522
C4	C1	H5	120.921	C4	N9	N10	119.522
H7	C3	N10	114.902	H8	C4	N9	114.902

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B1B95/aug-cc-pVDZ

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	0.975
2	C	0.975
3	C	0.389
4	C	0.389
5	H	-0.558
6	H	-0.558
7	H	-0.459
8	H	-0.459
9	N	-0.347
10	N	-0.347

<r²>	115.483
(<r²>)^1/2	10.746

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)