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	hartrees
Energy at 0K	-1149.707419
Energy at 298.15K	-1149.711437
HF Energy	-1148.557058
Nuclear repulsion energy	444.363266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3227	3120
2	A_g	1620	1566
3	A_g	1176	1137
4	A_g	1115	1078
5	A_g	746	722
6	A_g	326	315
7	A_u	932	901
8	A_u	404	391
9	B_1g	814	787
10	B_1u	3210	3104
11	B_1u	1494	1445
12	B_1u	1109	1073
13	B_1u	1007	974
14	B_1u	550	531
15	B_2g	900	871
16	B_2g	598	578
17	B_2g	291	281
18	B_2u	3225	3119
19	B_2u	1412	1365
20	B_2u	1347	1303
21	B_2u	1102	1066
22	B_2u	216	209
23	B_3g	3212	3105
24	B_3g	1606	1553
25	B_3g	1288	1245
26	B_3g	625	604
27	B_3g	344	333
28	B_3u	802	775
29	B_3u	473	457
30	B_3u	101	98

Atom	y (Å)	z (Å)
C1	0.000	1.401
C2	0.000	-1.401
C3	1.225	0.704
C4	-1.225	0.704
C5	-1.225	-0.704
C6	1.225	-0.704
Cl7	0.000	3.155
Cl8	0.000	-3.155
H9	2.171	1.258
H10	-2.171	1.258
H11	-2.171	-1.258
H12	2.171	-1.258

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.8019	1.4091	1.4091	2.4358	2.4358	1.7545	4.5565	2.1755	2.1755	3.4328	3.4328
C2	2.8019		2.4358	2.4358	1.4091	1.4091	4.5565	1.7545	3.4328	3.4328	2.1755	2.1755
C3	1.4091	2.4358		2.4498	2.8260	1.4088	2.7401	4.0496	1.0961	3.4406	3.9221	2.1787
C4	1.4091	2.4358	2.4498		1.4088	2.8260	2.7401	4.0496	3.4406	1.0961	2.1787	3.9221
C5	2.4358	1.4091	2.8260	1.4088		2.4498	4.0496	2.7401	3.9221	2.1787	1.0961	3.4406
C6	2.4358	1.4091	1.4088	2.8260	2.4498		4.0496	2.7401	2.1787	3.9221	3.4406	1.0961
Cl7	1.7545	4.5565	2.7401	2.7401	4.0496	4.0496		6.3110	2.8830	2.8830	4.9187	4.9187
Cl8	4.5565	1.7545	4.0496	4.0496	2.7401	2.7401	6.3110		4.9187	4.9187	2.8830	2.8830
H9	2.1755	3.4328	1.0961	3.4406	3.9221	2.1787	2.8830	4.9187		4.3416	5.0182	2.5166
H10	2.1755	3.4328	3.4406	1.0961	2.1787	3.9221	2.8830	4.9187	4.3416		2.5166	5.0182
H11	3.4328	2.1755	3.9221	2.1787	1.0961	3.4406	4.9187	2.8830	5.0182	2.5166		4.3416
H12	3.4328	2.1755	2.1787	3.9221	3.4406	1.0961	4.9187	2.8830	2.5166	5.0182	4.3416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.625	C1	C3	H9	120.023
C1	C4	C5	119.625	C1	C4	H10	120.023
C2	C5	C4	119.625	C2	C5	H11	120.023
C2	C6	C3	119.625	C2	C6	H12	120.023
C3	C1	C4	120.750	C3	C1	Cl7	119.625
C3	C6	H12	120.352	C4	C1	Cl7	119.625
C4	C5	H11	120.352	C5	C2	C6	120.750
C5	C2	Cl8	119.625	C5	C4	H10	120.352
C6	C2	Cl8	119.625	C6	C3	H9	120.352

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

using model chemistry: MP4/cc-pVDZ

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: MP4/cc-pVDZ

States and conformations

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