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	hartrees
Energy at 0K	-264.175145
Energy at 298.15K	-264.180962
Nuclear repulsion energy	208.687935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3088	6.67
2	A₁	3227	3064	1.28
3	A₁	1652	1568	6.01
4	A₁	1511	1435	1.08
5	A₁	1238	1175	0.17
6	A₁	1187	1127	0.18
7	A₁	1119	1062	13.33
8	A₁	1043	990	7.07
9	A₁	679	644	2.84
10	A₂	1025	973	0.00
11	A₂	952	904	0.00
12	A₂	775	735	0.00
13	A₂	373	354	0.00
14	B₁	987	937	0.00
15	B₁	768	729	35.12
16	B₁	376	357	8.78
17	B₂	3240	3076	21.89
18	B₂	3222	3059	8.89
19	B₂	1653	1569	3.00
20	B₂	1459	1385	19.47
21	B₂	1333	1266	2.08
22	B₂	1100	1044	0.77
23	B₂	1053	1000	1.71
24	B₂	624	593	0.00

Atom	y (Å)	z (Å)
C1	0.689	1.176
C2	-0.689	1.176
C3	-1.315	-0.068
C4	1.315	-0.068
H5	1.269	2.091
H6	-1.269	2.091
H7	-2.397	-0.155
H8	2.397	-0.155
N9	0.662	-1.226
N10	-0.662	-1.226

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3783	2.3587	1.3924	1.0838	2.1615	3.3603	2.1646	2.4018	2.7557
C2	1.3783		1.3924	2.3587	2.1615	1.0838	2.1646	3.3603	2.7557	2.4018
C3	2.3587	1.3924		2.6298	3.3674	2.1601	1.0851	3.7124	2.2911	1.3290
C4	1.3924	2.3587	2.6298		2.1601	3.3674	3.7124	1.0851	1.3290	2.2911
H5	1.0838	2.1615	3.3674	2.1601		2.5375	4.2989	2.5135	3.3723	3.8384
H6	2.1615	1.0838	2.1601	3.3674	2.5375		2.5135	4.2989	3.8384	3.3723
H7	3.3603	2.1646	1.0851	3.7124	4.2989	2.5135		4.7930	3.2408	2.0384
H8	2.1646	3.3603	3.7124	1.0851	2.5135	4.2989	4.7930		2.0384	3.2408
N9	2.4018	2.7557	2.2911	1.3290	3.3723	3.8384	3.2408	2.0384		1.3244
N10	2.7557	2.4018	1.3290	2.2911	3.8384	3.3723	2.0384	3.2408	1.3244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.705	C1	C2	H6	122.331
C1	C4	H8	121.286	C1	C4	N9	123.883
C2	C1	C4	116.705	C2	C1	H5	122.331
C2	C3	H7	121.286	C2	C3	N10	123.883
C3	C2	H6	120.964	C3	N10	N9	119.412
C4	C1	H5	120.964	C4	N9	N10	119.412
H7	C3	N10	114.831	H8	C4	N9	114.831

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B1B95/6-31G*

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	-0.145
2	C	-0.145
3	C	0.019
4	C	0.019
5	H	0.184
6	H	0.184
7	H	0.184
8	H	0.184
9	N	-0.243
10	N	-0.243

<r²>	114.855
(<r²>)^1/2	10.717

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)