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	hartrees
Energy at 0K	-264.224855
Energy at 298.15K	-264.230704
Nuclear repulsion energy	208.434173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3091	5.54
2	A₁	3223	3066	0.95
3	A₁	1649	1569	6.41
4	A₁	1506	1433	1.37
5	A₁	1236	1176	0.34
6	A₁	1185	1128	0.18
7	A₁	1118	1063	14.47
8	A₁	1042	992	6.78
9	A₁	684	651	2.89
10	A₂	1028	978	0.00
11	A₂	953	907	0.00
12	A₂	778	740	0.00
13	A₂	375	357	0.00
14	B₁	990	942	0.00
15	B₁	770	732	36.56
16	B₁	378	359	9.17
17	B₂	3236	3079	18.07
18	B₂	3218	3062	8.01
19	B₂	1647	1567	3.52
20	B₂	1457	1386	20.05
21	B₂	1328	1263	1.94
22	B₂	1100	1047	0.64
23	B₂	1060	1008	1.66
24	B₂	632	602	0.00

Atom	y (Å)	z (Å)
C1	0.690	1.177
C2	-0.690	1.177
C3	-1.317	-0.068
C4	1.317	-0.068
H5	1.270	2.093
H6	-1.270	2.093
H7	-2.399	-0.154
H8	2.399	-0.154
N9	0.663	-1.227
N10	-0.663	-1.227

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3804	2.3623	1.3939	1.0841	2.1635	3.3640	2.1661	2.4043	2.7586
C2	1.3804		1.3939	2.3623	2.1635	1.0841	2.1661	3.3640	2.7586	2.4043
C3	2.3623	1.3939		2.6349	3.3710	2.1615	1.0854	3.7179	2.2944	1.3315
C4	1.3939	2.3623	2.6349		2.1615	3.3710	3.7179	1.0854	1.3315	2.2944
H5	1.0841	2.1635	3.3710	2.1615		2.5395	4.3024	2.5147	3.3753	3.8416
H6	2.1635	1.0841	2.1615	3.3710	2.5395		2.5147	4.3024	3.8416	3.3753
H7	3.3640	2.1661	1.0854	3.7179	4.3024	2.5147		4.7990	3.2448	2.0420
H8	2.1661	3.3640	3.7179	1.0854	2.5147	4.3024	4.7990		2.0420	3.2448
N9	2.4043	2.7586	2.2944	1.3315	3.3753	3.8416	3.2448	2.0420		1.3251
N10	2.7586	2.4043	1.3315	2.2944	3.8416	3.3753	2.0420	3.2448	1.3251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.742	C1	C2	H6	122.319
C1	C4	H8	121.266	C1	C4	N9	123.795
C2	C1	C4	116.742	C2	C1	H5	122.319
C2	C3	H7	121.266	C2	C3	N10	123.795
C3	C2	H6	120.939	C3	N10	N9	119.463
C4	C1	H5	120.939	C4	N9	N10	119.463
H7	C3	N10	114.939	H8	C4	N9	114.939

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: mPW1PW91/6-31G**

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	-0.116
2	C	-0.116
3	C	0.067
4	C	0.067
5	H	0.152
6	H	0.152
7	H	0.155
8	H	0.155
9	N	-0.258
10	N	-0.258

<r²>	115.093
(<r²>)^1/2	10.728

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)