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	hartrees
Energy at 0K	-262.684104
Energy at 298.15K	-262.690263
Nuclear repulsion energy	209.936546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3376	3074	6.18
2	A₁	3355	3055	1.39
3	A₁	1771	1613	6.45
4	A₁	1614	1470	1.40
5	A₁	1262	1149	0.81
6	A₁	1213	1105	3.77
7	A₁	1162	1058	11.03
8	A₁	1058	963	16.67
9	A₁	729	664	5.56
10	A₂	1108	1009	0.00
11	A₂	1034	942	0.00
12	A₂	830	756	0.00
13	A₂	430	392	0.00
14	B₁	1075	979	0.10
15	B₁	837	762	53.92
16	B₁	441	402	8.98
17	B₂	3365	3064	25.90
18	B₂	3346	3047	2.19
19	B₂	1777	1618	1.59
20	B₂	1560	1421	26.56
21	B₂	1421	1294	4.05
22	B₂	1159	1055	1.29
23	B₂	1132	1031	2.60
24	B₂	678	617	0.16

Atom	y (Å)	z (Å)
C1	0.685	1.171
C2	-0.685	1.171
C3	-1.312	-0.076
C4	1.312	-0.076
H5	1.267	2.081
H6	-1.267	2.081
H7	-2.388	-0.162
H8	2.388	-0.162
N9	0.654	-1.213
N10	-0.654	-1.213

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3707	2.3549	1.3959	1.0797	2.1536	3.3506	2.1630	2.3845	2.7349
C2	1.3707		1.3959	2.3549	2.1536	1.0797	2.1630	3.3506	2.7349	2.3845
C3	2.3549	1.3959		2.6242	3.3620	2.1577	1.0798	3.7016	2.2714	1.3136
C4	1.3959	2.3549	2.6242		2.1577	3.3620	3.7016	1.0798	1.3136	2.2714
H5	1.0797	2.1536	3.3620	2.1577		2.5332	4.2886	2.5083	3.3507	3.8134
H6	2.1536	1.0797	2.1577	3.3620	2.5332		2.5083	4.2886	3.8134	3.3507
H7	3.3506	2.1630	1.0798	3.7016	4.2886	2.5083		4.7769	3.2191	2.0277
H8	2.1630	3.3506	3.7016	1.0798	2.5083	4.2886	4.7769		2.0277	3.2191
N9	2.3845	2.7349	2.2714	1.3136	3.3507	3.8134	3.2191	2.0277		1.3085
N10	2.7349	2.3845	1.3136	2.2714	3.8134	3.3507	2.0277	3.2191	1.3085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.678	C1	C2	H6	122.569
C1	C4	H8	121.255	C1	C4	N9	123.271
C2	C1	C4	116.678	C2	C1	H5	122.569
C2	C3	H7	121.255	C2	C3	N10	123.271
C3	C2	H6	120.753	C3	N10	N9	120.052
C4	C1	H5	120.753	C4	N9	N10	120.052
H7	C3	N10	115.474	H8	C4	N9	115.474

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: HF/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	0.646
2	C	0.646
3	C	0.555
4	C	0.555
5	H	-0.390
6	H	-0.390
7	H	-0.269
8	H	-0.269
9	N	-0.541
10	N	-0.541

<r²>	114.567
(<r²>)^1/2	10.704

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)