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	hartrees
Energy at 0K	-259.426384
Energy at 298.15K	-259.430243
HF Energy	-258.847008
Nuclear repulsion energy	282.983068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3103	17.29
2	A₁	3197	3079	5.92
3	A₁	1580	1521	1.86
4	A₁	1467	1412	40.86
5	A₁	1351	1301	0.32
6	A₁	1199	1155	0.07
7	A₁	1126	1084	21.22
8	A₁	1025	987	9.44
9	A₁	651	627	10.90
10	A₁	444	428	6.32
11	A₁	189	182	0.02
12	A₂	876	844	0.00
13	A₂	789	760	0.00
14	A₂	634	611	0.00
15	A₂	496	478	0.00
16	A₂	128	123	0.00
17	B₁	848	817	0.68
18	B₁	732	705	100.52
19	B₁	429	413	9.70
20	B₁	221	213	1.86
21	B₂	3211	3093	11.00
22	B₂	3182	3064	1.09
23	B₂	1583	1525	6.57
24	B₂	1443	1390	13.18
25	B₂	1286	1238	1.40
26	B₂	1139	1097	0.42
27	B₂	1030	992	34.19
28	B₂	722	695	16.49
29	B₂	407	392	0.78
30	B₂	320	308	0.07

Atom	y (Å)	z (Å)
C1	0.711	-0.011
C2	-0.711	-0.011
C3	1.424	1.221
C4	-1.424	1.221
C5	0.712	2.453
C6	-0.712	2.453
Cl7	1.671	-1.563
Cl8	-1.671	-1.563
H9	2.516	1.207
H10	-2.516	1.207
H11	1.266	3.396
H12	-1.266	3.396

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4228	1.4237	2.4654	2.4641	2.8457	1.8247	2.8433	2.1780	3.4503	3.4519	3.9392
C2	1.4228		2.4654	1.4237	2.8457	2.4641	2.8433	1.8247	3.4503	2.1780	3.9392	3.4519
C3	1.4237	2.4654		2.8473	1.4222	2.4653	2.7957	4.1631	1.0929	3.9401	2.1801	3.4583
C4	2.4654	1.4237	2.8473		2.4653	1.4222	4.1631	2.7957	3.9401	1.0929	3.4583	2.1801
C5	2.4641	2.8457	1.4222	2.4653		1.4242	4.1290	4.6699	2.1924	3.4604	1.0935	2.1910
C6	2.8457	2.4641	2.4653	1.4222	1.4242		4.6699	4.1290	3.4604	2.1924	2.1910	1.0935
Cl7	1.8247	2.8433	2.7957	4.1631	4.1290	4.6699		3.3418	2.8970	5.0211	4.9757	5.7633
Cl8	2.8433	1.8247	4.1631	2.7957	4.6699	4.1290	3.3418		5.0211	2.8970	5.7633	4.9757
H9	2.1780	3.4503	1.0929	3.9401	2.1924	3.4604	2.8970	5.0211		5.0330	2.5206	4.3695
H10	3.4503	2.1780	3.9401	1.0929	3.4604	2.1924	5.0211	2.8970	5.0330		4.3695	2.5206
H11	3.4519	3.9392	2.1801	3.4583	1.0935	2.1910	4.9757	5.7633	2.5206	4.3695		2.5312
H12	3.9392	3.4519	3.4583	2.1801	2.1910	1.0935	5.7633	4.9757	4.3695	2.5206	2.5312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.017	C1	C2	Cl8	121.725
C1	C3	C5	119.961	C1	C3	H9	119.288
C2	C1	C3	120.017	C2	C1	Cl7	121.725
C2	C4	C6	119.961	C2	C4	H10	119.288
C3	C1	Cl7	118.257	C3	C5	C6	120.022
C3	C5	H11	119.566	C4	C2	Cl8	118.257
C4	C6	C5	120.022	C4	C6	H12	119.566
C5	C3	H9	120.751	C5	C6	H12	120.413
C6	C4	H10	120.751	C6	C5	H11	120.413

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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