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	hartrees
Energy at 0K	-262.741716
Energy at 298.15K	-262.747883
HF Energy	-262.741716
Nuclear repulsion energy	210.925699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3358	3038	6.84
2	A₁	3333	3015	0.93
3	A₁	1767	1599	6.35
4	A₁	1619	1465	1.12
5	A₁	1271	1150	0.35
6	A₁	1212	1097	5.31
7	A₁	1157	1047	7.46
8	A₁	1035	936	17.61
9	A₁	732	662	5.83
10	A₂	1143	1034	0.00
11	A₂	1052	952	0.00
12	A₂	846	765	0.00
13	A₂	436	395	0.00
14	B₁	1098	993	0.03
15	B₁	851	770	52.04
16	B₁	446	404	9.03
17	B₂	3345	3026	24.59
18	B₂	3326	3009	4.64
19	B₂	1772	1603	1.46
20	B₂	1574	1424	26.19
21	B₂	1434	1297	4.69
22	B₂	1161	1051	2.12
23	B₂	1139	1030	2.30
24	B₂	682	617	0.18

Atom	y (Å)	z (Å)
C1	0.682	1.165
C2	-0.682	1.165
C3	-1.307	-0.076
C4	1.307	-0.076
H5	1.258	2.070
H6	-1.258	2.070
H7	-2.377	-0.161
H8	2.377	-0.161
N9	0.652	-1.206
N10	-0.652	-1.206

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3633	2.3446	1.3901	1.0724	2.1400	3.3342	2.1529	2.3720	2.7213
C2	1.3633		1.3901	2.3446	2.1400	1.0724	2.1529	3.3342	2.7213	2.3720
C3	2.3446	1.3901		2.6148	3.3444	2.1464	1.0733	3.6857	2.2626	1.3065
C4	1.3901	2.3446	2.6148		2.1464	3.3444	3.6857	1.0733	1.3065	2.2626
H5	1.0724	2.1400	3.3444	2.1464		2.5156	4.2652	2.4963	3.3318	3.7926
H6	2.1400	1.0724	2.1464	3.3444	2.5156		2.4963	4.2652	3.7926	3.3318
H7	3.3342	2.1529	1.0733	3.6857	4.2652	2.4963		4.7545	3.2050	2.0168
H8	2.1529	3.3342	3.6857	1.0733	2.4963	4.2652	4.7545		2.0168	3.2050
N9	2.3720	2.7213	2.2626	1.3065	3.3318	3.7926	3.2050	2.0168		1.3050
N10	2.7213	2.3720	1.3065	2.2626	3.7926	3.3318	2.0168	3.2050	1.3050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.753	C1	C2	H6	122.495
C1	C4	H8	121.313	C1	C4	N9	123.162
C2	C1	C4	116.753	C2	C1	H5	122.495
C2	C3	H7	121.313	C2	C3	N10	123.162
C3	C2	H6	120.752	C3	N10	N9	120.085
C4	C1	H5	120.752	C4	N9	N10	120.085
H7	C3	N10	115.525	H8	C4	N9	115.525

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: HF/daug-cc-pVTZ

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	0.071
2	C	0.071
3	C	-0.956
4	C	-0.956
5	H	0.788
6	H	0.788
7	H	0.929
8	H	0.929
9	N	-0.833
10	N	-0.833

<r²>	113.602
(<r²>)^1/2	10.658

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)