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	hartrees
Energy at 0K	-264.217652
Energy at 298.15K	-264.223479
Nuclear repulsion energy	207.822635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3104	7.26
2	A₁	3191	3078	0.14
3	A₁	1624	1566	4.27
4	A₁	1481	1428	1.65
5	A₁	1221	1178	0.78
6	A₁	1164	1122	0.08
7	A₁	1101	1062	13.55
8	A₁	1029	993	4.97
9	A₁	674	650	3.00
10	A₂	1010	974	0.00
11	A₂	938	905	0.00
12	A₂	778	750	0.00
13	A₂	371	358	0.00
14	B₁	975	941	0.11
15	B₁	755	728	44.03
16	B₁	368	355	8.67
17	B₂	3204	3091	17.22
18	B₂	3186	3074	6.25
19	B₂	1621	1564	3.29
20	B₂	1428	1378	18.33
21	B₂	1303	1257	2.15
22	B₂	1085	1046	0.44
23	B₂	1051	1014	1.31
24	B₂	625	603	0.07

Atom	y (Å)	z (Å)
C1	0.692	1.179
C2	-0.692	1.179
C3	-1.322	-0.068
C4	1.322	-0.068
H5	1.275	2.101
H6	-1.275	2.101
H7	-2.410	-0.155
H8	2.410	-0.155
N9	0.664	-1.230
N10	-0.664	-1.230

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3843	2.3689	1.3971	1.0904	2.1721	3.3770	2.1753	2.4097	2.7648
C2	1.3843		1.3971	2.3689	2.1721	1.0904	2.1753	3.3770	2.7648	2.4097
C3	2.3689	1.3971		2.6438	3.3832	2.1694	1.0916	3.7329	2.3009	1.3358
C4	1.3971	2.3689	2.6438		2.1694	3.3832	3.7329	1.0916	1.3358	2.3009
H5	1.0904	2.1721	3.3832	2.1694		2.5493	4.3206	2.5259	3.3869	3.8542
H6	2.1721	1.0904	2.1694	3.3832	2.5493		2.5259	4.3206	3.8542	3.3869
H7	3.3770	2.1753	1.0916	3.7329	4.3206	2.5259		4.8199	3.2563	2.0506
H8	2.1753	3.3770	3.7329	1.0916	2.5259	4.3206	4.8199		2.0506	3.2563
N9	2.4097	2.7648	2.3009	1.3358	3.3869	3.8542	3.2563	2.0506		1.3274
N10	2.7648	2.4097	1.3358	2.3009	3.8542	3.3869	2.0506	3.2563	1.3274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.793	C1	C2	H6	122.289
C1	C4	H8	121.385	C1	C4	N9	123.687
C2	C1	C4	116.793	C2	C1	H5	122.289
C2	C3	H7	121.385	C2	C3	N10	123.687
C3	C2	H6	120.918	C3	N10	N9	119.521
C4	C1	H5	120.918	C4	N9	N10	119.521
H7	C3	N10	114.928	H8	C4	N9	114.928

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3PW91/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	0.992
2	C	0.992
3	C	0.289
4	C	0.289
5	H	-0.505
6	H	-0.505
7	H	-0.416
8	H	-0.416
9	N	-0.360
10	N	-0.360

<r²>	116.130
(<r²>)^1/2	10.776

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)