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	hartrees
Energy at 0K	-264.200065
Energy at 298.15K	-264.205885
Nuclear repulsion energy	208.299334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3105	5.90
2	A₁	3198	3074	0.59
3	A₁	1636	1573	5.07
4	A₁	1488	1430	1.25
5	A₁	1231	1183	0.23
6	A₁	1161	1116	0.44
7	A₁	1106	1063	13.82
8	A₁	1038	998	6.51
9	A₁	671	645	3.00
10	A₂	1023	983	0.00
11	A₂	943	907	0.00
12	A₂	777	747	0.00
13	A₂	369	355	0.00
14	B₁	982	944	0.02
15	B₁	760	731	31.79
16	B₁	370	356	8.20
17	B₂	3215	3091	14.86
18	B₂	3193	3070	10.24
19	B₂	1640	1577	2.88
20	B₂	1431	1376	19.44
21	B₂	1307	1256	2.02
22	B₂	1085	1042	0.23
23	B₂	1046	1005	2.20
24	B₂	619	595	0.01

Atom	y (Å)	z (Å)
C1	0.691	1.178
C2	-0.691	1.178
C3	-1.315	-0.068
C4	1.315	-0.068
H5	1.274	2.099
H6	-1.274	2.099
H7	-2.404	-0.157
H8	2.404	-0.157
N9	0.662	-1.229
N10	-0.662	-1.229

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3812	2.3617	1.3942	1.0901	2.1695	3.3701	2.1718	2.4070	2.7609
C2	1.3812		1.3942	2.3617	2.1695	1.0901	2.1718	3.3701	2.7609	2.4070
C3	2.3617	1.3942		2.6309	3.3766	2.1678	1.0921	3.7204	2.2928	1.3318
C4	1.3942	2.3617	2.6309		2.1678	3.3766	3.7204	1.0921	1.3318	2.2928
H5	1.0901	2.1695	3.3766	2.1678		2.5475	4.3143	2.5229	3.3836	3.8499
H6	2.1695	1.0901	2.1678	3.3766	2.5475		2.5229	4.3143	3.8499	3.3836
H7	3.3701	2.1718	1.0921	3.7204	4.3143	2.5229		4.8079	3.2481	2.0455
H8	2.1718	3.3701	3.7204	1.0921	2.5229	4.3143	4.8079		2.0455	3.2481
N9	2.4070	2.7609	2.2928	1.3318	3.3836	3.8499	3.2481	2.0455		1.3241
N10	2.7609	2.4070	1.3318	2.2928	3.8499	3.3836	2.0455	3.2481	1.3241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.625	C1	C2	H6	122.341
C1	C4	H8	121.259	C1	C4	N9	123.994
C2	C1	C4	116.625	C2	C1	H5	122.341
C2	C3	H7	121.259	C2	C3	N10	123.994
C3	C2	H6	121.034	C3	N10	N9	119.381
C4	C1	H5	121.034	C4	N9	N10	119.381
H7	C3	N10	114.748	H8	C4	N9	114.748

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B1B95/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	0.006
2	C	0.006
3	C	0.100
4	C	0.100
5	H	0.009
6	H	0.009
7	H	0.023
8	H	0.023
9	N	-0.139
10	N	-0.139

<r²>	115.350
(<r²>)^1/2	10.740

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)