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	hartrees
Energy at 0K	-1148.995052
Energy at 298.15K	-1148.999046
HF Energy	-1148.365560
Nuclear repulsion energy	457.602894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	3068	9.20
2	A₁	3210	3050	6.84
3	A₁	1608	1528	2.47
4	A₁	1507	1432	42.06
5	A₁	1377	1308	0.01
6	A₁	1231	1170	0.07
7	A₁	1155	1097	22.22
8	A₁	1055	1002	6.93
9	A₁	672	638	12.69
10	A₁	454	431	8.00
11	A₁	194	184	0.00
12	A₂	870	826	0.00
13	A₂	834	793	0.00
14	A₂	590	560	0.00
15	A₂	495	471	0.00
16	A₂	134	127	0.00
17	B₁	882	838	3.02
18	B₁	753	716	77.73
19	B₁	444	422	5.80
20	B₁	229	217	0.93
21	B₂	3223	3062	4.48
22	B₂	3196	3037	1.86
23	B₂	1609	1529	6.59
24	B₂	1478	1405	14.98
25	B₂	1313	1248	2.68
26	B₂	1164	1106	1.97
27	B₂	1053	1000	38.47
28	B₂	741	704	17.45
29	B₂	415	394	0.73
30	B₂	329	313	0.23

Atom	y (Å)	z (Å)
C1	0.702	-0.002
C2	-0.702	-0.002
C3	1.408	1.216
C4	-1.408	1.216
C5	0.706	2.438
C6	-0.706	2.438
Cl7	1.661	-1.558
Cl8	-1.661	-1.558
H9	2.497	1.197
H10	-2.497	1.197
H11	1.259	3.377
H12	-1.259	3.377

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4042	1.4079	2.4365	2.4401	2.8171	1.8271	2.8290	2.1586	3.4164	3.4245	3.9068
C2	1.4042		2.4365	1.4079	2.8171	2.4401	2.8290	1.8271	3.4164	2.1586	3.9068	3.4245
C3	1.4079	2.4365		2.8163	1.4095	2.4418	2.7847	4.1366	1.0889	3.9051	2.1660	3.4327
C4	2.4365	1.4079	2.8163		2.4418	1.4095	4.1366	2.7847	3.9051	1.0889	3.4327	2.1660
C5	2.4401	2.8171	1.4095	2.4418		1.4117	4.1079	4.6438	2.1788	3.4347	1.0897	2.1777
C6	2.8171	2.4401	2.4418	1.4095	1.4117		4.6438	4.1079	3.4347	2.1788	2.1777	1.0897
Cl7	1.8271	2.8290	2.7847	4.1366	4.1079	4.6438		3.3222	2.8786	4.9876	4.9505	5.7335
Cl8	2.8290	1.8271	4.1366	2.7847	4.6438	4.1079	3.3222		4.9876	2.8786	5.7335	4.9505
H9	2.1586	3.4164	1.0889	3.9051	2.1788	3.4347	2.8786	4.9876		4.9938	2.5065	4.3426
H10	3.4164	2.1586	3.9051	1.0889	3.4347	2.1788	4.9876	2.8786	4.9938		4.3426	2.5065
H11	3.4245	3.9068	2.1660	3.4327	1.0897	2.1777	4.9505	5.7335	2.5065	4.3426		2.5182
H12	3.9068	3.4245	3.4327	2.1660	2.1777	1.0897	5.7335	4.9505	4.3426	2.5065	2.5182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.101	C1	C2	Cl8	121.660
C1	C3	C5	120.013	C1	C3	H9	119.118
C2	C1	C3	120.101	C2	C1	Cl7	121.660
C2	C4	C6	120.013	C2	C4	H10	119.118
C3	C1	Cl7	118.239	C3	C5	C6	119.886
C3	C5	H11	119.605	C4	C2	Cl8	118.239
C4	C6	C5	119.886	C4	C6	H12	119.605
C5	C3	H9	120.869	C5	C6	H12	120.509
C6	C4	H10	120.869	C6	C5	H11	120.509

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: MP2=FULL/6-31G

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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All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)