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	hartrees
Energy at 0K	-264.237053
Energy at 298.15K	-264.242871
Nuclear repulsion energy	208.452013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	3090	10.93
2	A₁	3184	3065	1.05
3	A₁	1626	1566	5.83
4	A₁	1490	1435	1.47
5	A₁	1208	1163	0.02
6	A₁	1177	1133	0.05
7	A₁	1102	1061	15.66
8	A₁	1025	987	7.46
9	A₁	681	656	2.77
10	A₂	1012	975	0.00
11	A₂	942	907	0.00
12	A₂	772	743	0.00
13	A₂	371	357	0.00
14	B₁	978	941	0.03
15	B₁	760	731	48.44
16	B₁	373	359	9.12
17	B₂	3197	3077	28.49
18	B₂	3179	3060	8.02
19	B₂	1623	1562	4.16
20	B₂	1445	1391	19.04
21	B₂	1318	1269	2.57
22	B₂	1088	1048	0.48
23	B₂	1056	1017	1.45
24	B₂	631	608	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	2.094
H6	-1.270	2.094
H7	-2.400	-0.157
H8	2.400	-0.157
N9	0.663	-1.227
N10	-0.663	-1.227

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3796	2.3616	1.3939	1.0852	2.1635	3.3654	2.1687	2.4035	2.7580
C2	1.3796		1.3939	2.3616	2.1635	1.0852	2.1687	3.3654	2.7580	2.4035
C3	2.3616	1.3939		2.6343	3.3713	2.1627	1.0865	3.7181	2.2943	1.3305
C4	1.3939	2.3616	2.6343		2.1627	3.3713	3.7181	1.0865	1.3305	2.2943
H5	1.0852	2.1635	3.3713	2.1627		2.5390	4.3050	2.5191	3.3757	3.8422
H6	2.1635	1.0852	2.1627	3.3713	2.5390		2.5191	4.3050	3.8422	3.3757
H7	3.3654	2.1687	1.0865	3.7181	4.3050	2.5191		4.7999	3.2444	2.0398
H8	2.1687	3.3654	3.7181	1.0865	2.5191	4.3050	4.7999		2.0398	3.2444
N9	2.4035	2.7580	2.2943	1.3305	3.3757	3.8422	3.2444	2.0398		1.3262
N10	2.7580	2.4035	1.3305	2.2943	3.8422	3.3757	2.0398	3.2444	1.3262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.746	C1	C2	H6	122.287
C1	C4	H8	121.444	C1	C4	N9	123.809
C2	C1	C4	116.746	C2	C1	H5	122.287
C2	C3	H7	121.444	C2	C3	N10	123.809
C3	C2	H6	120.967	C3	N10	N9	119.444
C4	C1	H5	120.967	C4	N9	N10	119.444
H7	C3	N10	114.747	H8	C4	N9	114.747

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B3PW91/6-311G*

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	-0.212
2	C	-0.212
3	C	-0.054
4	C	-0.054
5	H	0.221
6	H	0.221
7	H	0.229
8	H	0.229
9	N	-0.184
10	N	-0.184

<r²>	115.356
(<r²>)^1/2	10.740

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)