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	hartrees
Energy at 0K	-1149.662687
Energy at 298.15K	-1149.666481
HF Energy	-1148.587482
Nuclear repulsion energy	448.610062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3240	3079	0.00
2	A_g	1633	1551	0.00
3	A_g	1210	1149	0.00
4	A_g	1134	1077	0.00
5	A_g	766	728	0.00
6	A_g	334	317	0.00
7	A_u	865	822	0.00
8	A_u	401	381	0.00
9	B_1g	789	750	0.00
10	B_1u	3225	3065	1.02
11	B_1u	1517	1442	110.15
12	B_1u	1132	1076	96.69
13	B_1u	1022	971	57.22
14	B_1u	567	539	23.06
15	B_2g	844	802	0.00
16	B_2g	367	349	0.00
17	B_2g	285	271	0.00
18	B_2u	3239	3078	1.97
19	B_2u	1464	1391	1.86
20	B_2u	1406	1336	5.54
21	B_2u	1132	1076	4.64
22	B_2u	221	210	0.47
23	B_3g	3227	3067	0.00
24	B_3g	1621	1540	0.00
25	B_3g	1320	1254	0.00
26	B_3g	635	603	0.00
27	B_3g	354	336	0.00
28	B_3u	759	721	71.20
29	B_3u	449	427	20.00
30	B_3u	100	95	0.30

Atom	y (Å)	z (Å)
C1	0.000	1.388
C2	0.000	-1.388
C3	1.215	0.698
C4	-1.215	0.698
C5	-1.215	-0.698
C6	1.215	-0.698
Cl7	0.000	3.124
Cl8	0.000	-3.124
H9	2.151	1.248
H10	-2.151	1.248
H11	-2.151	-1.248
H12	2.151	-1.248

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7769	1.3971	1.3971	2.4145	2.4145	1.7356	4.5125	2.1557	2.1557	3.4025	3.4025
C2	2.7769		2.4145	2.4145	1.3971	1.3971	4.5125	1.7356	3.4025	3.4025	2.1557	2.1557
C3	1.3971	2.4145		2.4293	2.8022	1.3966	2.7129	4.0107	1.0857	3.4103	3.8879	2.1596
C4	1.3971	2.4145	2.4293		1.3966	2.8022	2.7129	4.0107	3.4103	1.0857	2.1596	3.8879
C5	2.4145	1.3971	2.8022	1.3966		2.4293	4.0107	2.7129	3.8879	2.1596	1.0857	3.4103
C6	2.4145	1.3971	1.3966	2.8022	2.4293		4.0107	2.7129	2.1596	3.8879	3.4103	1.0857
Cl7	1.7356	4.5125	2.7129	2.7129	4.0107	4.0107		6.2481	2.8545	2.8545	4.8723	4.8723
Cl8	4.5125	1.7356	4.0107	4.0107	2.7129	2.7129	6.2481		4.8723	4.8723	2.8545	2.8545
H9	2.1557	3.4025	1.0857	3.4103	3.8879	2.1596	2.8545	4.8723		4.3023	4.9736	2.4954
H10	2.1557	3.4025	3.4103	1.0857	2.1596	3.8879	2.8545	4.8723	4.3023		2.4954	4.9736
H11	3.4025	2.1557	3.8879	2.1596	1.0857	3.4103	4.8723	2.8545	4.9736	2.4954		4.3023
H12	3.4025	2.1557	2.1596	3.8879	3.4103	1.0857	4.8723	2.8545	2.4954	4.9736	4.3023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.605	C1	C3	H9	119.995
C1	C4	C5	119.605	C1	C4	H10	119.995
C2	C5	C4	119.605	C2	C5	H11	119.995
C2	C6	C3	119.605	C2	C6	H12	119.995
C3	C1	C4	120.790	C3	C1	Cl7	119.605
C3	C6	H12	120.400	C4	C1	Cl7	119.605
C4	C5	H11	120.400	C5	C2	C6	120.790
C5	C2	Cl8	119.605	C5	C4	H10	120.400
C6	C2	Cl8	119.605	C6	C3	H9	120.400

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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