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	hartrees
Energy at 0K	-1149.782343
Energy at 298.15K	-1149.786553
HF Energy	-1148.526090
Nuclear repulsion energy	470.389110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3084	2.39
2	A₁	3251	3070	1.71
3	A₁	1614	1524	3.31
4	A₁	1492	1409	56.57
5	A₁	1456	1375	7.69
6	A₁	1189	1123	5.13
7	A₁	1174	1109	34.23
8	A₁	1061	1003	5.27
9	A₁	668	631	13.86
10	A₁	488	461	4.27
11	A₁	202	191	0.00
12	A₂	959	906	0.00
13	A₂	870	822	0.00
14	A₂	676	639	0.00
15	A₂	516	487	0.00
16	A₂	138	131	0.00
17	B₁	934	882	1.30
18	B₁	772	729	52.81
19	B₁	443	419	3.13
20	B₁	236	222	0.57
21	B₂	3259	3078	0.14
22	B₂	3240	3060	0.72
23	B₂	1619	1529	5.59
24	B₂	1457	1377	18.96
25	B₂	1275	1204	3.22
26	B₂	1158	1094	2.25
27	B₂	1041	983	34.28
28	B₂	758	716	13.69
29	B₂	434	410	0.29
30	B₂	339	320	0.04

Atom	y (Å)	z (Å)
C1	0.700	-0.032
C2	-0.700	-0.032
C3	1.394	1.178
C4	-1.394	1.178
C5	0.697	2.382
C6	-0.697	2.382
Cl7	1.590	-1.508
Cl8	-1.590	-1.508
H9	2.477	1.158
H10	-2.477	1.158
H11	1.246	3.316
H12	-1.246	3.316

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3992	1.3952	2.4180	2.4145	2.7894	1.7240	2.7243	2.1385	3.3917	3.3929	3.8726
C2	1.3992		2.4180	1.3952	2.7894	2.4145	2.7243	1.7240	3.3917	2.1385	3.8726	3.3929
C3	1.3952	2.4180		2.7875	1.3913	2.4129	2.6937	4.0150	1.0829	3.8703	2.1436	3.3969
C4	2.4180	1.3952	2.7875		2.4129	1.3913	4.0150	2.6937	3.8703	1.0829	3.3969	2.1436
C5	2.4145	2.7894	1.3913	2.4129		1.3942	3.9920	4.5132	2.1602	3.4017	1.0833	2.1556
C6	2.7894	2.4145	2.4129	1.3913	1.3942		4.5132	3.9920	3.4017	2.1602	2.1556	1.0833
Cl7	1.7240	2.7243	2.6937	4.0150	3.9920	4.5132		3.1799	2.8096	4.8625	4.8372	5.5965
Cl8	2.7243	1.7240	4.0150	2.6937	4.5132	3.9920	3.1799		4.8625	2.8096	5.5965	4.8372
H9	2.1385	3.3917	1.0829	3.8703	2.1602	3.4017	2.8096	4.8625		4.9530	2.4851	4.3029
H10	3.3917	2.1385	3.8703	1.0829	3.4017	2.1602	4.8625	2.8096	4.9530		4.3029	2.4851
H11	3.3929	3.8726	2.1436	3.3969	1.0833	2.1556	4.8372	5.5965	2.4851	4.3029		2.4913
H12	3.8726	3.3929	3.3969	2.1436	2.1556	1.0833	5.5965	4.8372	4.3029	2.4851	2.4913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.837	C1	C2	Cl8	121.095
C1	C3	C5	120.114	C1	C3	H9	118.758
C2	C1	C3	119.837	C2	C1	Cl7	121.095
C2	C4	C6	120.114	C2	C4	H10	118.758
C3	C1	Cl7	119.068	C3	C5	C6	120.049
C3	C5	H11	119.528	C4	C2	Cl8	119.068
C4	C6	C5	120.049	C4	C6	H12	119.528
C5	C3	H9	121.129	C5	C6	H12	120.423
C6	C4	H10	121.129	C6	C5	H11	120.423

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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