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	hartrees
Energy at 0K	-65.091851
Energy at 298.15K
HF Energy	-64.489084
Nuclear repulsion energy	158.313443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3173	3096	0.00
2	A_g	1568	1530	0.00
3	A_g	1204	1175	0.00
4	A_g	1061	1035	0.00
5	A_g	723	705	0.00
6	A_g	308	301	0.00
7	A_u	603	589	0.00
8	A_u	281	274	0.00
9	B_1g	701	684	0.00
10	B_1u	3153	3078	1.89
11	B_1u	1478	1442	73.66
12	B_1u	1084	1058	79.54
13	B_1u	998	974	74.42
14	B_1u	503	491	20.52
15	B_2g	742	724	0.00
16	B_2g	252	246	0.00
17	B_2g	1102i	1076i	0.00
18	B_2u	3170	3094	11.37
19	B_2u	1383	1350	5.94
20	B_2u	1329	1297	0.09
21	B_2u	1109	1082	5.59
22	B_2u	204	199	1.47
23	B_3g	3154	3078	0.00
24	B_3g	1567	1530	0.00
25	B_3g	1310	1278	0.00
26	B_3g	625	610	0.00
27	B_3g	333	325	0.00
28	B_3u	613	598	99.25
29	B_3u	242	236	0.21
30	B_3u	89	87	0.65

Atom	y (Å)	z (Å)
C1	0.000	1.406
C2	0.000	-1.406
C3	1.244	0.714
C4	-1.244	0.714
C5	-1.244	-0.714
C6	1.244	-0.714
Cl7	0.000	3.244
Cl8	0.000	-3.244
H9	2.185	1.268
H10	-2.185	1.268
H11	-2.185	-1.268
H12	2.185	-1.268

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.8118	1.4234	1.4234	2.4581	2.4581	1.8378	4.6497	2.1896	2.1896	3.4529	3.4529
C2	2.8118		2.4581	2.4581	1.4234	1.4234	4.6497	1.8378	3.4529	3.4529	2.1896	2.1896
C3	1.4234	2.4581		2.4880	2.8689	1.4284	2.8189	4.1489	1.0918	3.4736	3.9607	2.1939
C4	1.4234	2.4581	2.4880		1.4284	2.8689	2.8189	4.1489	3.4736	1.0918	2.1939	3.9607
C5	2.4581	1.4234	2.8689	1.4284		2.4880	4.1489	2.8189	3.9607	2.1939	1.0918	3.4736
C6	2.4581	1.4234	1.4284	2.8689	2.4880		4.1489	2.8189	2.1939	3.9607	3.4736	1.0918
Cl7	1.8378	4.6497	2.8189	2.8189	4.1489	4.1489		6.4875	2.9462	2.9462	5.0127	5.0127
Cl8	4.6497	1.8378	4.1489	4.1489	2.8189	2.8189	6.4875		5.0127	5.0127	2.9462	2.9462
H9	2.1896	3.4529	1.0918	3.4736	3.9607	2.1939	2.9462	5.0127		4.3704	5.0524	2.5352
H10	2.1896	3.4529	3.4736	1.0918	2.1939	3.9607	2.9462	5.0127	4.3704		2.5352	5.0524
H11	3.4529	2.1896	3.9607	2.1939	1.0918	3.4736	5.0127	2.9462	5.0524	2.5352		4.3704
H12	3.4529	2.1896	2.1939	3.9607	3.4736	1.0918	5.0127	2.9462	2.5352	5.0524	4.3704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.075	C1	C3	H9	120.471
C1	C4	C5	119.075	C1	C4	H10	120.471
C2	C5	C4	119.075	C2	C5	H11	120.471
C2	C6	C3	119.075	C2	C6	H12	120.471
C3	C1	C4	121.850	C3	C1	Cl7	119.075
C3	C6	H12	120.454	C4	C1	Cl7	119.075
C4	C5	H11	120.454	C5	C2	C6	121.850
C5	C2	Cl8	119.075	C5	C4	H10	120.454
C6	C2	Cl8	119.075	C6	C3	H9	120.454

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)

using model chemistry: MP2/CEP-121G

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 (1,4-dichlorobenzene)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)