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	hartrees
Energy at 0K	-1149.691491
Energy at 298.15K	-1149.695276
HF Energy	-1148.594988
Nuclear repulsion energy	448.669586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3243	3082	0.00
2	A_g	1628	1547	0.00
3	A_g	1200	1140	0.00
4	A_g	1134	1078	0.00
5	A_g	765	727	0.00
6	A_g	333	317	0.00
7	A_u	899	854	0.00
8	A_u	399	379	0.00
9	B_1g	801	761	0.00
10	B_1u	3228	3067	0.83
11	B_1u	1509	1434	103.11
12	B_1u	1131	1074	102.29
13	B_1u	1017	967	53.08
14	B_1u	567	539	21.96
15	B_2g	866	822	0.00
16	B_2g	328	312	0.00
17	B_2g	283	269	0.00
18	B_2u	3242	3080	1.37
19	B_2u	1459	1387	0.79
20	B_2u	1402	1332	5.32
21	B_2u	1123	1068	4.19
22	B_2u	220	209	0.42
23	B_3g	3229	3068	0.00
24	B_3g	1618	1537	0.00
25	B_3g	1310	1245	0.00
26	B_3g	633	601	0.00
27	B_3g	353	335	0.00
28	B_3u	766	728	59.85
29	B_3u	446	424	18.54
30	B_3u	99	94	0.29

Atom	y (Å)	z (Å)
C1	0.000	1.390
C2	0.000	-1.390
C3	1.214	0.698
C4	-1.214	0.698
C5	-1.214	-0.698
C6	1.214	-0.698
Cl7	0.000	3.124
Cl8	0.000	-3.124
H9	2.150	1.247
H10	-2.150	1.247
H11	-2.150	-1.247
H12	2.150	-1.247

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7790	1.3971	1.3971	2.4151	2.4151	1.7346	4.5136	2.1547	2.1547	3.4022	3.4022
C2	2.7790		2.4151	2.4151	1.3971	1.3971	4.5136	1.7346	3.4022	3.4022	2.1547	2.1547
C3	1.3971	2.4151		2.4281	2.8011	1.3964	2.7127	4.0105	1.0851	3.4086	3.8861	2.1588
C4	1.3971	2.4151	2.4281		1.3964	2.8011	2.7127	4.0105	3.4086	1.0851	2.1588	3.8861
C5	2.4151	1.3971	2.8011	1.3964		2.4281	4.0105	2.7127	3.8861	2.1588	1.0851	3.4086
C6	2.4151	1.3971	1.3964	2.8011	2.4281		4.0105	2.7127	2.1588	3.8861	3.4086	1.0851
Cl7	1.7346	4.5136	2.7127	2.7127	4.0105	4.0105		6.2482	2.8540	2.8540	4.8714	4.8714
Cl8	4.5136	1.7346	4.0105	4.0105	2.7127	2.7127	6.2482		4.8714	4.8714	2.8540	2.8540
H9	2.1547	3.4022	1.0851	3.4086	3.8861	2.1588	2.8540	4.8714		4.3001	4.9711	2.4944
H10	2.1547	3.4022	3.4086	1.0851	2.1588	3.8861	2.8540	4.8714	4.3001		2.4944	4.9711
H11	3.4022	2.1547	3.8861	2.1588	1.0851	3.4086	4.8714	2.8540	4.9711	2.4944		4.3001
H12	3.4022	2.1547	2.1588	3.8861	3.4086	1.0851	4.8714	2.8540	2.4944	4.9711	4.3001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.657	C1	C3	H9	119.950
C1	C4	C5	119.657	C1	C4	H10	119.950
C2	C5	C4	119.657	C2	C5	H11	119.950
C2	C6	C3	119.657	C2	C6	H12	119.950
C3	C1	C4	120.685	C3	C1	Cl7	119.657
C3	C6	H12	120.392	C4	C1	Cl7	119.657
C4	C5	H11	120.392	C5	C2	C6	120.685
C5	C2	Cl8	119.657	C5	C4	H10	120.392
C6	C2	Cl8	119.657	C6	C3	H9	120.392

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)