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	hartrees
Energy at 0K	-1143.882754
Energy at 298.15K	-1143.886912
HF Energy	-1143.057322
Nuclear repulsion energy	445.399583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3234	3066	0.00
2	A_g	1584	1502	0.00
3	A_g	1247	1182	0.00
4	A_g	1099	1041	0.00
5	A_g	764	725	0.00
6	A_g	332	315	0.00
7	A_u	929	881	0.00
8	A_u	426	404	0.00
9	B_1g	827	784	0.00
10	B_1u	3216	3049	0.18
11	B_1u	1525	1446	77.91
12	B_1u	1124	1065	123.08
13	B_1u	1058	1003	18.00
14	B_1u	541	513	29.71
15	B_2g	900	853	0.00
16	B_2g	665	631	0.00
17	B_2g	300	285	0.00
18	B_2u	3231	3063	0.36
19	B_2u	1427	1353	9.42
20	B_2u	1304	1236	0.00
21	B_2u	1144	1085	2.97
22	B_2u	222	211	1.19
23	B_3g	3217	3049	0.00
24	B_3g	1570	1488	0.00
25	B_3g	1368	1297	0.00
26	B_3g	667	633	0.00
27	B_3g	361	342	0.00
28	B_3u	816	774	76.27
29	B_3u	490	464	21.30
30	B_3u	104	98	0.58

Atom	y (Å)	z (Å)
C1	0.000	1.393
C2	0.000	-1.393
C3	1.220	0.702
C4	-1.220	0.702
C5	-1.220	-0.702
C6	1.220	-0.702
Cl7	0.000	3.152
Cl8	0.000	-3.152
H9	2.156	1.252
H10	-2.156	1.252
H11	-2.156	-1.252
H12	2.156	-1.252

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7858	1.4022	1.4022	2.4246	2.4246	1.7593	4.5452	2.1609	2.1609	3.4124	3.4124
C2	2.7858		2.4246	2.4246	1.4022	1.4022	4.5452	1.7593	3.4124	3.4124	2.1609	2.1609
C3	1.4022	2.4246		2.4406	2.8158	1.4044	2.7372	4.0430	1.0855	3.4210	3.9012	2.1667
C4	1.4022	2.4246	2.4406		1.4044	2.8158	2.7372	4.0430	3.4210	1.0855	2.1667	3.9012
C5	2.4246	1.4022	2.8158	1.4044		2.4406	4.0430	2.7372	3.9012	2.1667	1.0855	3.4210
C6	2.4246	1.4022	1.4044	2.8158	2.4406		4.0430	2.7372	2.1667	3.9012	3.4210	1.0855
Cl7	1.7593	4.5452	2.7372	2.7372	4.0430	4.0430		6.3045	2.8742	2.8742	4.9037	4.9037
Cl8	4.5452	1.7593	4.0430	4.0430	2.7372	2.7372	6.3045		4.9037	4.9037	2.8742	2.8742
H9	2.1609	3.4124	1.0855	3.4210	3.9012	2.1667	2.8742	4.9037		4.3126	4.9867	2.5038
H10	2.1609	3.4124	3.4210	1.0855	2.1667	3.9012	2.8742	4.9037	4.3126		2.5038	4.9867
H11	3.4124	2.1609	3.9012	2.1667	1.0855	3.4210	4.9037	2.8742	4.9867	2.5038		4.3126
H12	3.4124	2.1609	2.1667	3.9012	3.4210	1.0855	4.9037	2.8742	2.5038	4.9867	4.3126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.512	C1	C3	H9	120.062
C1	C4	C5	119.512	C1	C4	H10	120.062
C2	C5	C4	119.512	C2	C5	H11	120.062
C2	C6	C3	119.512	C2	C6	H12	120.062
C3	C1	C4	120.976	C3	C1	Cl7	119.512
C3	C6	H12	120.426	C4	C1	Cl7	119.512
C4	C5	H11	120.426	C5	C2	C6	120.976
C5	C2	Cl8	119.512	C5	C4	H10	120.426
C6	C2	Cl8	119.512	C6	C3	H9	120.426

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

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

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