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	hartrees
Energy at 0K	-65.593463
Energy at 298.15K	-65.597480
HF Energy	-64.611154
Nuclear repulsion energy	160.602029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3240	3076	0.00
2	A_g	1640	1557	0.00
3	A_g	1196	1136	0.00
4	A_g	1130	1073	0.00
5	A_g	755	716	0.00
6	A_g	326	309	0.00
7	A_u	946	898	0.00
8	A_u	414	393	0.00
9	B_1g	840	798	0.00
10	B_1u	3218	3055	0.93
11	B_1u	1506	1430	110.44
12	B_1u	1125	1068	87.35
13	B_1u	1010	959	68.59
14	B_1u	560	532	24.13
15	B_2g	909	863	0.00
16	B_2g	596	566	0.00
17	B_2g	297	282	0.00
18	B_2u	3239	3075	2.16
19	B_2u	1487	1412	0.25
20	B_2u	1408	1337	3.93
21	B_2u	1121	1064	6.83
22	B_2u	216	205	0.96
23	B_3g	3220	3057	0.00
24	B_3g	1635	1552	0.00
25	B_3g	1307	1241	0.00
26	B_3g	618	586	0.00
27	B_3g	342	324	0.00
28	B_3u	828	786	91.72
29	B_3u	474	450	23.92
30	B_3u	104	98	0.38

Atom	y (Å)	z (Å)
C1	0.000	1.405
C2	0.000	-1.405
C3	1.238	0.709
C4	-1.238	0.709
C5	-1.238	-0.709
C6	1.238	-0.709
Cl7	0.000	3.159
Cl8	0.000	-3.159
H9	2.181	1.264
H10	-2.181	1.264
H11	-2.181	-1.264
H12	2.181	-1.264

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.8107	1.4204	1.4204	2.4505	2.4505	1.7534	4.5641	2.1857	2.1857	3.4472	3.4472
C2	2.8107		2.4505	2.4505	1.4204	1.4204	4.5641	1.7534	3.4472	3.4472	2.1857	2.1857
C3	1.4204	2.4505		2.4764	2.8540	1.4187	2.7446	4.0615	1.0940	3.4640	3.9479	2.1871
C4	1.4204	2.4505	2.4764		1.4187	2.8540	2.7446	4.0615	3.4640	1.0940	2.1871	3.9479
C5	2.4505	1.4204	2.8540	1.4187		2.4764	4.0615	2.7446	3.9479	2.1871	1.0940	3.4640
C6	2.4505	1.4204	1.4187	2.8540	2.4764		4.0615	2.7446	2.1871	3.9479	3.4640	1.0940
Cl7	1.7534	4.5641	2.7446	2.7446	4.0615	4.0615		6.3175	2.8892	2.8892	4.9314	4.9314
Cl8	4.5641	1.7534	4.0615	4.0615	2.7446	2.7446	6.3175		4.9314	4.9314	2.8892	2.8892
H9	2.1857	3.4472	1.0940	3.4640	3.9479	2.1871	2.8892	4.9314		4.3623	5.0419	2.5280
H10	2.1857	3.4472	3.4640	1.0940	2.1871	3.9479	2.8892	4.9314	4.3623		2.5280	5.0419
H11	3.4472	2.1857	3.9479	2.1871	1.0940	3.4640	4.9314	2.8892	5.0419	2.5280		4.3623
H12	3.4472	2.1857	2.1871	3.9479	3.4640	1.0940	4.9314	2.8892	2.5280	5.0419	4.3623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.340	C1	C3	H9	120.197
C1	C4	C5	119.340	C1	C4	H10	120.197
C2	C5	C4	119.340	C2	C5	H11	120.197
C2	C6	C3	119.340	C2	C6	H12	120.197
C3	C1	C4	121.321	C3	C1	Cl7	119.340
C3	C6	H12	120.464	C4	C1	Cl7	119.340
C4	C5	H11	120.464	C5	C2	C6	121.321
C5	C2	Cl8	119.340	C5	C4	H10	120.464
C6	C2	Cl8	119.340	C6	C3	H9	120.464

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

using model chemistry: MP2/CEP-31G*

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-31G*

States and conformations

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