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	hartrees
Energy at 0K	-1149.567189
Energy at 298.15K
HF Energy	-1148.509181
Nuclear repulsion energy	468.657679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3090	6.74
2	A₁	3270	3076	3.21
3	A₁	1635	1538	4.55
4	A₁	1515	1425	51.45
5	A₁	1454	1367	7.04
6	A₁	1205	1133	0.36
7	A₁	1179	1109	41.15
8	A₁	1071	1007	9.13
9	A₁	676	635	13.45
10	A₁	490	461	5.05
11	A₁	205	193	0.02
12	A₂	877	825	0.00
13	A₂	814	766	0.00
14	A₂	414	390	0.00
15	A₂	119	112	0.00
16	A₂	901i	847i	0.00
17	B₁	879	827	0.43
18	B₁	741	697	81.83
19	B₁	387	364	3.75
20	B₁	213	200	1.89
21	B₂	3279	3084	3.25
22	B₂	3260	3066	0.70
23	B₂	1647	1549	9.41
24	B₂	1480	1392	17.06
25	B₂	1295	1218	3.49
26	B₂	1170	1101	2.04
27	B₂	1056	993	37.55
28	B₂	764	718	13.64
29	B₂	433	408	0.22
30	B₂	341	320	0.20

Atom	y (Å)	z (Å)
C1	0.701	-0.035
C2	-0.701	-0.035
C3	1.395	1.180
C4	-1.395	1.180
C5	0.699	2.389
C6	-0.699	2.389
Cl7	1.605	-1.512
Cl8	-1.605	-1.512
H9	2.477	1.164
H10	-2.477	1.164
H11	1.248	3.322
H12	-1.248	3.322

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4027	1.3990	2.4227	2.4240	2.7994	1.7312	2.7385	2.1421	3.3966	3.4010	3.8818
C2	1.4027		2.4227	1.3990	2.7994	2.4240	2.7385	1.7312	3.3966	2.1421	3.8818	3.4010
C3	1.3990	2.4227		2.7891	1.3947	2.4174	2.7002	4.0303	1.0823	3.8712	2.1465	3.4016
C4	2.4227	1.3990	2.7891		2.4174	1.3947	4.0303	2.7002	3.8712	1.0823	3.4016	2.1465
C5	2.4240	2.7994	1.3947	2.4174		1.3979	4.0046	4.5303	2.1591	3.4038	1.0825	2.1591
C6	2.7994	2.4240	2.4174	1.3947	1.3979		4.5303	4.0046	3.4038	2.1591	2.1591	1.0825
Cl7	1.7312	2.7385	2.7002	4.0303	4.0046	4.5303		3.2096	2.8139	4.8802	4.8466	5.6128
Cl8	2.7385	1.7312	4.0303	2.7002	4.5303	4.0046	3.2096		4.8802	2.8139	5.6128	4.8466
H9	2.1421	3.3966	1.0823	3.8712	2.1591	3.4038	2.8139	4.8802		4.9533	2.4831	4.3049
H10	3.3966	2.1421	3.8712	1.0823	3.4038	2.1591	4.8802	2.8139	4.9533		4.3049	2.4831
H11	3.4010	3.8818	2.1465	3.4016	1.0825	2.1591	4.8466	5.6128	2.4831	4.3049		2.4966
H12	3.8818	3.4010	3.4016	2.1465	2.1591	1.0825	5.6128	4.8466	4.3049	2.4831	2.4966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.702	C1	C2	Cl8	121.458
C1	C3	C5	120.380	C1	C3	H9	118.828
C2	C1	C3	119.702	C2	C1	Cl7	121.458
C2	C4	C6	120.380	C2	C4	H10	118.828
C3	C1	Cl7	118.840	C3	C5	C6	119.918
C3	C5	H11	119.584	C4	C2	Cl8	118.840
C4	C6	C5	119.918	C4	C6	H12	119.584
C5	C3	H9	120.792	C5	C6	H12	120.498
C6	C4	H10	120.792	C6	C5	H11	120.498

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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