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	hartrees
Energy at 0K	-1150.177956
Energy at 298.15K	-1150.182253
HF Energy	-1148.646735
Nuclear repulsion energy	472.743223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3088	3.02
2	A₁	3224	3067	2.86
3	A₁	1620	1541	4.29
4	A₁	1499	1426	45.49
5	A₁	1466	1395	15.05
6	A₁	1182	1124	30.00
7	A₁	1168	1111	9.02
8	A₁	1066	1014	6.46
9	A₁	673	640	12.64
10	A₁	491	467	4.10
11	A₁	205	195	0.02
12	A₂	989	941	0.00
13	A₂	890	847	0.00
14	A₂	654	622	0.00
15	A₂	507	482	0.00
16	A₂	139	132	0.00
17	B₁	995	947	1.28
18	B₁	786	748	62.10
19	B₁	458	436	4.91
20	B₁	242	231	1.14
21	B₂	3235	3078	0.72
22	B₂	3201	3046	0.84
23	B₂	1628	1548	7.88
24	B₂	1460	1389	15.82
25	B₂	1274	1212	3.19
26	B₂	1155	1099	1.20
27	B₂	1056	1005	31.61
28	B₂	761	724	13.11
29	B₂	440	419	0.22
30	B₂	342	325	0.12

Atom	y (Å)	z (Å)
C1	0.696	-0.030
C2	-0.696	-0.030
C3	1.385	1.173
C4	-1.385	1.173
C5	0.694	2.373
C6	-0.694	2.373
Cl7	1.579	-1.503
Cl8	-1.579	-1.503
H9	2.463	1.154
H10	-2.463	1.154
H11	1.239	3.303
H12	-1.239	3.303

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3915	1.3873	2.4042	2.4034	2.7761	1.7170	2.7097	2.1270	3.3731	3.3772	3.8542
C2	1.3915		2.4042	1.3873	2.7761	2.4034	2.7097	1.7170	3.3731	2.1270	3.8542	3.3772
C3	1.3873	2.4042		2.7707	1.3847	2.4004	2.6832	3.9936	1.0774	3.8480	2.1344	3.3799
C4	2.4042	1.3873	2.7707		2.4004	1.3847	3.9936	2.6832	3.8480	1.0774	3.3799	2.1344
C5	2.4034	2.7761	1.3847	2.4004		1.3875	3.9756	4.4930	2.1483	3.3836	1.0780	2.1452
C6	2.7761	2.4034	2.4004	1.3847	1.3875		4.4930	3.9756	3.3836	2.1483	2.1452	1.0780
Cl7	1.7170	2.7097	2.6832	3.9936	3.9756	4.4930		3.1578	2.7998	4.8365	4.8176	5.5711
Cl8	2.7097	1.7170	3.9936	2.6832	4.4930	3.9756	3.1578		4.8365	2.7998	5.5711	4.8176
H9	2.1270	3.3731	1.0774	3.8480	2.1483	3.3836	2.7998	4.8365		4.9252	2.4726	4.2806
H10	3.3731	2.1270	3.8480	1.0774	3.3836	2.1483	4.8365	2.7998	4.9252		4.2806	2.4726
H11	3.3772	3.8542	2.1344	3.3799	1.0780	2.1452	4.8176	5.5711	2.4726	4.2806		2.4790
H12	3.8542	3.3772	3.3799	2.1344	2.1452	1.0780	5.5711	4.8176	4.2806	2.4726	2.4790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.808	C1	C2	Cl8	120.953
C1	C3	C5	120.228	C1	C3	H9	118.769
C2	C1	C3	119.808	C2	C1	Cl7	120.953
C2	C4	C6	120.228	C2	C4	H10	118.769
C3	C1	Cl7	119.239	C3	C5	C6	119.963
C3	C5	H11	119.626	C4	C2	Cl8	119.239
C4	C6	C5	119.963	C4	C6	H12	119.626
C5	C3	H9	121.002	C5	C6	H12	120.411
C6	C4	H10	121.002	C6	C5	H11	120.411

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

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

States and conformations

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