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	hartrees
Energy at 0K	-264.261172
Energy at 298.15K	-264.267038
Nuclear repulsion energy	209.600674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3088	7.03
2	A₁	3196	3059	0.23
3	A₁	1638	1568	5.25
4	A₁	1499	1435	1.33
5	A₁	1214	1162	0.17
6	A₁	1177	1127	0.12
7	A₁	1110	1063	13.51
8	A₁	1038	994	6.24
9	A₁	674	645	3.37
10	A₂	1037	993	0.00
11	A₂	956	915	0.00
12	A₂	789	756	0.00
13	A₂	374	358	0.00
14	B₁	998	955	0.02
15	B₁	770	737	40.12
16	B₁	374	358	8.70
17	B₂	3212	3075	16.87
18	B₂	3192	3055	10.07
19	B₂	1639	1569	2.98
20	B₂	1451	1389	19.81
21	B₂	1324	1267	2.58
22	B₂	1094	1047	0.84
23	B₂	1059	1013	1.68
24	B₂	624	598	0.07

Atom	y (Å)	z (Å)
C1	0.686	1.170
C2	-0.686	1.170
C3	-1.310	-0.068
C4	1.310	-0.068
H5	1.263	2.082
H6	-1.263	2.082
H7	-2.388	-0.153
H8	2.388	-0.153
N9	0.659	-1.220
N10	-0.659	-1.220

	C1	C2	C3	C4	H5	H6	H7	H8	N9	N10
C1		1.3722	2.3490	1.3862	1.0796	2.1523	3.3469	2.1558	2.3899	2.7422
C2	1.3722		1.3862	2.3490	2.1523	1.0796	2.1558	3.3469	2.7422	2.3899
C3	2.3490	1.3862		2.6208	3.3535	2.1505	1.0812	3.6996	2.2815	1.3236
C4	1.3862	2.3490	2.6208		2.1505	3.3535	3.6996	1.0812	1.3236	2.2815
H5	1.0796	2.1523	3.3535	2.1505		2.5265	4.2813	2.5024	3.3570	3.8208
H6	2.1523	1.0796	2.1505	3.3535	2.5265		2.5024	4.2813	3.8208	3.3570
H7	3.3469	2.1558	1.0812	3.6996	4.2813	2.5024		4.7765	3.2284	2.0320
H8	2.1558	3.3469	3.6996	1.0812	2.5024	4.2813	4.7765		2.0320	3.2284
N9	2.3899	2.7422	2.2815	1.3236	3.3570	3.8208	3.2284	2.0320		1.3177
N10	2.7422	2.3899	1.3236	2.2815	3.8208	3.3570	2.0320	3.2284	1.3177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	116.768	C1	C2	H6	122.318
C1	C4	H8	121.292	C1	C4	N9	123.743
C2	C1	C4	116.768	C2	C1	H5	122.318
C2	C3	H7	121.292	C2	C3	N10	123.743
C3	C2	H6	120.915	C3	N10	N9	119.489
C4	C1	H5	120.915	C4	N9	N10	119.489
H7	C3	N10	114.964	H8	C4	N9	114.964

All results from a given calculation for C₄H₄N₂ (Pyridazine)

using model chemistry: B1B95/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	-0.116
2	C	-0.116
3	C	-0.085
4	C	-0.085
5	H	0.151
6	H	0.151
7	H	0.151
8	H	0.151
9	N	-0.101
10	N	-0.101

<r²>	114.277
(<r²>)^1/2	10.690

All results from a given calculation for C4H4N2 (Pyridazine)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyridazine)