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	hartrees
Energy at 0K	-264.255480
Energy at 298.15K	-264.261337
Nuclear repulsion energy	208.205502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3102	6.57
2	A₁	3211	3077	0.13
3	A₁	1639	1571	4.37
4	A₁	1493	1431	1.68
5	A₁	1232	1181	1.01
6	A₁	1171	1122	0.14
7	A₁	1109	1063	14.07
8	A₁	1040	997	4.85
9	A₁	678	650	3.09
10	A₂	1017	974	0.00
11	A₂	944	905	0.00
12	A₂	782	749	0.00
13	A₂	375	359	0.00
14	B₁	983	942	0.09
15	B₁	761	730	44.57
16	B₁	374	358	8.74
17	B₂	3224	3090	16.47
18	B₂	3206	3073	5.85
19	B₂	1638	1570	3.10
20	B₂	1439	1379	19.12
21	B₂	1312	1257	2.17
22	B₂	1092	1047	0.40
23	B₂	1057	1013	1.42
24	B₂	629	602	0.07

Atom	y (Å)	z (Å)
C1	0.691	1.177
C2	-0.691	1.177
C3	-1.320	-0.068
C4	1.320	-0.068
H5	1.273	2.097
H6	-1.273	2.097
H7	-2.406	-0.156
H8	2.406	-0.156
N9	0.662	-1.228
N10	-0.662	-1.228

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3821	2.3653	1.3953	1.0888	2.1691	3.3718	2.1722	2.4054	2.7596
C2	1.3821		1.3953	2.3653	2.1691	1.0888	2.1722	3.3718	2.7596	2.4054
C3	2.3653	1.3953		2.6392	3.3783	2.1663	1.0899	3.7266	2.2958	1.3331
C4	1.3953	2.3653	2.6392		2.1663	3.3783	3.7266	1.0899	1.3331	2.2958
H5	1.0888	2.1691	3.3783	2.1663		2.5463	4.3144	2.5222	3.3811	3.8474
H6	2.1691	1.0888	2.1663	3.3783	2.5463		2.5222	4.3144	3.8474	3.3811
H7	3.3718	2.1722	1.0899	3.7266	4.3144	2.5222		4.8119	3.2497	2.0471
H8	2.1722	3.3718	3.7266	1.0899	2.5222	4.3144	4.8119		2.0471	3.2497
N9	2.4054	2.7596	2.2958	1.3331	3.3811	3.8474	3.2497	2.0471		1.3237
N10	2.7596	2.4054	1.3331	2.2958	3.8474	3.3811	2.0471	3.2497	1.3237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.774	C1	C2	H6	122.317
C1	C4	H8	121.386	C1	C4	N9	123.662
C2	C1	C4	116.774	C2	C1	H5	122.317
C2	C3	H7	121.386	C2	C3	N10	123.662
C3	C2	H6	120.909	C3	N10	N9	119.564
C4	C1	H5	120.909	C4	N9	N10	119.564
H7	C3	N10	114.952	H8	C4	N9	114.952

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: mPW1PW91/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	0.967
2	C	0.967
3	C	0.294
4	C	0.294
5	H	-0.486
6	H	-0.486
7	H	-0.391
8	H	-0.391
9	N	-0.383
10	N	-0.383

<r²>	115.788
(<r²>)^1/2	10.760

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)