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	hartrees
Energy at 0K	-65.088189
Energy at 298.15K
HF Energy	-64.483281
Nuclear repulsion energy	160.837904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3094	16.73
2	A₁	3150	3074	9.00
3	A₁	1564	1526	3.43
4	A₁	1461	1426	42.32
5	A₁	1334	1302	0.27
6	A₁	1194	1165	0.05
7	A₁	1122	1095	22.47
8	A₁	1014	989	9.78
9	A₁	647	631	11.06
10	A₁	444	433	6.02
11	A₁	189	184	0.00
12	A₂	720	703	0.00
13	A₂	680	664	0.00
14	A₂	254	248	0.00
15	A₂	115	112	0.00
16	A₂	1140i	1113i	0.00
17	B₁	705	688	53.13
18	B₁	597	583	42.26
19	B₁	254	248	0.12
20	B₁	203	199	1.80
21	B₂	3161	3086	12.32
22	B₂	3136	3061	1.82
23	B₂	1567	1529	8.06
24	B₂	1424	1390	14.71
25	B₂	1269	1239	2.50
26	B₂	1127	1100	1.59
27	B₂	1011	987	38.97
28	B₂	722	704	14.76
29	B₂	405	395	0.34
30	B₂	319	311	0.16

Atom	y (Å)	z (Å)
C1	0.713	-0.010
C2	-0.713	-0.010
C3	1.428	1.224
C4	-1.428	1.224
C5	0.714	2.459
C6	-0.714	2.459
Cl7	1.676	-1.567
Cl8	-1.676	-1.567
H9	2.520	1.204
H10	-2.520	1.204
H11	1.269	3.401
H12	-1.269	3.401

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4255	1.4268	2.4712	2.4693	2.8521	1.8309	2.8515	2.1776	3.4535	3.4562	3.9449
C2	1.4255		2.4712	1.4268	2.8521	2.4693	2.8515	1.8309	3.4535	2.1776	3.9449	3.4562
C3	1.4268	2.4712		2.8561	1.4262	2.4728	2.8024	4.1748	1.0921	3.9481	2.1825	3.4656
C4	2.4712	1.4268	2.8561		2.4728	1.4262	4.1748	2.8024	3.9481	1.0921	3.4656	2.1825
C5	2.4693	2.8521	1.4262	2.4728		1.4287	4.1395	4.6825	2.1987	3.4691	1.0929	2.1954
C6	2.8521	2.4693	2.4728	1.4262	1.4287		4.6825	4.1395	3.4691	2.1987	2.1954	1.0929
Cl7	1.8309	2.8515	2.8024	4.1748	4.1395	4.6825		3.3525	2.8973	5.0290	4.9848	5.7753
Cl8	2.8515	1.8309	4.1748	2.8024	4.6825	4.1395	3.3525		5.0290	2.8973	5.7753	4.9848
H9	2.1776	3.4535	1.0921	3.9481	2.1987	3.4691	2.8973	5.0290		5.0400	2.5278	4.3793
H10	3.4535	2.1776	3.9481	1.0921	3.4691	2.1987	5.0290	2.8973	5.0400		4.3793	2.5278
H11	3.4562	3.9449	2.1825	3.4656	1.0929	2.1954	4.9848	5.7753	2.5278	4.3793		2.5374
H12	3.9449	3.4562	3.4656	2.1825	2.1954	1.0929	5.7753	4.9848	4.3793	2.5278	2.5374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.089	C1	C2	Cl8	121.752
C1	C3	C5	119.884	C1	C3	H9	119.054
C2	C1	C3	120.089	C2	C1	Cl7	121.752
C2	C4	C6	119.884	C2	C4	H10	119.054
C3	C1	Cl7	118.159	C3	C5	C6	120.027
C3	C5	H11	119.492	C4	C2	Cl8	118.159
C4	C6	C5	120.027	C4	C6	H12	119.492
C5	C3	H9	121.062	C5	C6	H12	120.481
C6	C4	H10	121.062	C6	C5	H11	120.481

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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