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	hartrees
Energy at 0K	-1150.124467
Energy at 298.15K	-1150.128818
HF Energy	-1148.644576
Nuclear repulsion energy	472.364253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3100	3.09
2	A₁	3245	3080	2.90
3	A₁	1626	1544	3.72
4	A₁	1505	1429	49.48
5	A₁	1468	1393	13.39
6	A₁	1200	1140	3.30
7	A₁	1177	1117	36.34
8	A₁	1067	1013	6.36
9	A₁	675	641	12.87
10	A₁	491	466	4.38
11	A₁	202	192	0.01
12	A₂	1002	951	0.00
13	A₂	896	850	0.00
14	A₂	734	696	0.00
15	A₂	535	508	0.00
16	A₂	140	133	0.00
17	B₁	980	931	2.00
18	B₁	787	748	62.79
19	B₁	458	435	4.96
20	B₁	241	229	1.12
21	B₂	3258	3093	0.88
22	B₂	3227	3064	0.77
23	B₂	1636	1553	6.58
24	B₂	1468	1394	17.55
25	B₂	1280	1215	3.31
26	B₂	1165	1106	1.94
27	B₂	1065	1012	32.34
28	B₂	763	724	14.02
29	B₂	436	414	0.28
30	B₂	340	323	0.08

Atom	y (Å)	z (Å)
C1	0.696	-0.031
C2	-0.696	-0.031
C3	1.385	1.173
C4	-1.385	1.173
C5	0.694	2.373
C6	-0.694	2.373
Cl7	1.585	-1.503
Cl8	-1.585	-1.503
H9	2.460	1.154
H10	-2.460	1.154
H11	1.239	3.301
H12	-1.239	3.301

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3919	1.3875	2.4041	2.4042	2.7770	1.7195	2.7147	2.1248	3.3708	3.3755	3.8527
C2	1.3919		2.4041	1.3875	2.7770	2.4042	2.7147	1.7195	3.3708	2.1248	3.8527	3.3755
C3	1.3875	2.4041		2.7693	1.3844	2.3998	2.6838	3.9978	1.0751	3.8443	2.1321	3.3775
C4	2.4041	1.3875	2.7693		2.3998	1.3844	3.9978	2.6838	3.8443	1.0751	3.3775	2.1321
C5	2.4042	2.7770	1.3844	2.3998		1.3876	3.9772	4.4963	2.1457	3.3808	1.0758	2.1437
C6	2.7770	2.4042	2.3998	1.3844	1.3876		4.4963	3.9772	3.3808	2.1457	2.1437	1.0758
Cl7	1.7195	2.7147	2.6838	3.9978	3.9772	4.4963		3.1704	2.7971	4.8394	4.8158	5.5721
Cl8	2.7147	1.7195	3.9978	2.6838	4.4963	3.9772	3.1704		4.8394	2.7971	5.5721	4.8158
H9	2.1248	3.3708	1.0751	3.8443	2.1457	3.3808	2.7971	4.8394		4.9192	2.4693	4.2763
H10	3.3708	2.1248	3.8443	1.0751	3.3808	2.1457	4.8394	2.7971	4.9192		4.2763	2.4693
H11	3.3755	3.8527	2.1321	3.3775	1.0758	2.1437	4.8158	5.5721	2.4693	4.2763		2.4779
H12	3.8527	3.3755	3.3775	2.1321	2.1437	1.0758	5.5721	4.8158	4.2763	2.4693	2.4779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.759	C1	C2	Cl8	121.139
C1	C3	C5	120.306	C1	C3	H9	118.728
C2	C1	C3	119.759	C2	C1	Cl7	121.139
C2	C4	C6	120.306	C2	C4	H10	118.728
C3	C1	Cl7	119.102	C3	C5	C6	119.935
C3	C5	H11	119.616	C4	C2	Cl8	119.102
C4	C6	C5	119.935	C4	C6	H12	119.616
C5	C3	H9	120.966	C5	C6	H12	120.449
C6	C4	H10	120.966	C6	C5	H11	120.449

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

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

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

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