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	hartrees
Energy at 0K	-1149.703651
Energy at 298.15K	-1149.707701
HF Energy	-1148.564135
Nuclear repulsion energy	466.453146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3146	4.83
2	A₁	3231	3131	2.63
3	A₁	1602	1553	5.25
4	A₁	1477	1432	8.68
5	A₁	1451	1407	50.13
6	A₁	1169	1133	9.43
7	A₁	1157	1121	30.74
8	A₁	1049	1017	7.05
9	A₁	659	639	13.06
10	A₁	480	465	4.69
11	A₁	198	192	0.01
12	A₂	917	889	0.00
13	A₂	835	809	0.00
14	A₂	562	545	0.00
15	A₂	499	484	0.00
16	A₂	134	130	0.00
17	B₁	918	890	0.86
18	B₁	752	729	65.19
19	B₁	433	419	4.93
20	B₁	233	226	1.32
21	B₂	3240	3140	1.48
22	B₂	3220	3121	0.79
23	B₂	1600	1551	7.51
24	B₂	1412	1369	16.22
25	B₂	1248	1209	2.58
26	B₂	1133	1098	1.58
27	B₂	1016	984	34.96
28	B₂	742	719	13.15
29	B₂	417	404	0.19
30	B₂	331	321	0.13

Atom	y (Å)	z (Å)
C1	0.705	-0.031
C2	-0.705	-0.031
C3	1.405	1.188
C4	-1.405	1.188
C5	0.703	2.403
C6	-0.703	2.403
Cl7	1.603	-1.522
Cl8	-1.603	-1.522
H9	2.497	1.168
H10	-2.497	1.168
H11	1.256	3.345
H12	-1.256	3.345

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4095	1.4058	2.4365	2.4339	2.8117	1.7404	2.7473	2.1563	3.4186	3.4206	3.9040
C2	1.4095		2.4365	1.4058	2.8117	2.4339	2.7473	1.7404	3.4186	2.1563	3.9040	3.4206
C3	1.4058	2.4365		2.8097	1.4031	2.4328	2.7169	4.0484	1.0919	3.9015	2.1619	3.4252
C4	2.4365	1.4058	2.8097		2.4328	1.4031	4.0484	2.7169	3.9015	1.0919	3.4252	2.1619
C5	2.4339	2.8117	1.4031	2.4328		1.4058	4.0265	4.5519	2.1773	3.4293	1.0923	2.1737
C6	2.8117	2.4339	2.4328	1.4031	1.4058		4.5519	4.0265	3.4293	2.1773	2.1737	1.0923
Cl7	1.7404	2.7473	2.7169	4.0484	4.0265	4.5519		3.2061	2.8347	4.9034	4.8788	5.6442
Cl8	2.7473	1.7404	4.0484	2.7169	4.5519	4.0265	3.2061		4.9034	2.8347	5.6442	4.8788
H9	2.1563	3.4186	1.0919	3.9015	2.1773	3.4293	2.8347	4.9034		4.9931	2.5050	4.3380
H10	3.4186	2.1563	3.9015	1.0919	3.4293	2.1773	4.9034	2.8347	4.9931		4.3380	2.5050
H11	3.4206	3.9040	2.1619	3.4252	1.0923	2.1737	4.8788	5.6442	2.5050	4.3380		2.5122
H12	3.9040	3.4206	3.4252	2.1619	2.1737	1.0923	5.6442	4.8788	4.3380	2.5050	2.5122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.870	C1	C2	Cl8	121.075
C1	C3	C5	120.112	C1	C3	H9	118.846
C2	C1	C3	119.870	C2	C1	Cl7	121.075
C2	C4	C6	120.112	C2	C4	H10	118.846
C3	C1	Cl7	119.055	C3	C5	C6	120.019
C3	C5	H11	119.556	C4	C2	Cl8	119.055
C4	C6	C5	120.019	C4	C6	H12	119.556
C5	C3	H9	121.042	C5	C6	H12	120.425
C6	C4	H10	121.042	C6	C5	H11	120.425

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

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