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	hartrees
Energy at 0K	-1143.848401
Energy at 298.15K	-1143.852546
HF Energy	-1143.057192
Nuclear repulsion energy	445.267419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3233	3076	0.00
2	A_g	1583	1506	0.00
3	A_g	1247	1186	0.00
4	A_g	1097	1044	0.00
5	A_g	764	727	0.00
6	A_g	332	316	0.00
7	A_u	926	881	0.00
8	A_u	425	404	0.00
9	B_1g	824	784	0.00
10	B_1u	3216	3059	0.18
11	B_1u	1524	1450	77.61
12	B_1u	1123	1068	123.84
13	B_1u	1057	1006	17.80
14	B_1u	540	514	29.85
15	B_2g	896	853	0.00
16	B_2g	661	629	0.00
17	B_2g	299	285	0.00
18	B_2u	3230	3073	0.37
19	B_2u	1426	1357	9.36
20	B_2u	1303	1239	0.01
21	B_2u	1144	1088	2.96
22	B_2u	222	211	1.20
23	B_3g	3216	3059	0.00
24	B_3g	1569	1492	0.00
25	B_3g	1368	1301	0.00
26	B_3g	667	634	0.00
27	B_3g	361	343	0.00
28	B_3u	813	773	76.68
29	B_3u	488	464	21.02
30	B_3u	103	98	0.59

Atom	y (Å)	z (Å)
C1	0.000	1.393
C2	0.000	-1.393
C3	1.221	0.702
C4	-1.221	0.702
C5	-1.221	-0.702
C6	1.221	-0.702
Cl7	0.000	3.153
Cl8	0.000	-3.153
H9	2.157	1.252
H10	-2.157	1.252
H11	-2.157	-1.252
H12	2.157	-1.252

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7863	1.4026	1.4026	2.4251	2.4251	1.7601	4.5464	2.1615	2.1615	3.4130	3.4130
C2	2.7863		2.4251	2.4251	1.4026	1.4026	4.5464	1.7601	3.4130	3.4130	2.1615	2.1615
C3	1.4026	2.4251		2.4413	2.8166	1.4047	2.7380	4.0442	1.0856	3.4220	3.9022	2.1670
C4	1.4026	2.4251	2.4413		1.4047	2.8166	2.7380	4.0442	3.4220	1.0856	2.1670	3.9022
C5	2.4251	1.4026	2.8166	1.4047		2.4413	4.0442	2.7380	3.9022	2.1670	1.0856	3.4220
C6	2.4251	1.4026	1.4047	2.8166	2.4413		4.0442	2.7380	2.1670	3.9022	3.4220	1.0856
Cl7	1.7601	4.5464	2.7380	2.7380	4.0442	4.0442		6.3065	2.8753	2.8753	4.9049	4.9049
Cl8	4.5464	1.7601	4.0442	4.0442	2.7380	2.7380	6.3065		4.9049	4.9049	2.8753	2.8753
H9	2.1615	3.4130	1.0856	3.4220	3.9022	2.1670	2.8753	4.9049		4.3138	4.9878	2.5038
H10	2.1615	3.4130	3.4220	1.0856	2.1670	3.9022	2.8753	4.9049	4.3138		2.5038	4.9878
H11	3.4130	2.1615	3.9022	2.1670	1.0856	3.4220	4.9049	2.8753	4.9878	2.5038		4.3138
H12	3.4130	2.1615	2.1670	3.9022	3.4220	1.0856	4.9049	2.8753	2.5038	4.9878	4.3138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.507	C1	C3	H9	120.080
C1	C4	C5	119.507	C1	C4	H10	120.080
C2	C5	C4	119.507	C2	C5	H11	120.080
C2	C6	C3	119.507	C2	C6	H12	120.080
C3	C1	C4	120.987	C3	C1	Cl7	119.507
C3	C6	H12	120.413	C4	C1	Cl7	119.507
C4	C5	H11	120.413	C5	C2	C6	120.987
C5	C2	Cl8	119.507	C5	C4	H10	120.413
C6	C2	Cl8	119.507	C6	C3	H9	120.413

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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