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	hartrees
Energy at 0K	-1148.998807
Energy at 298.15K	-1149.002742
HF Energy	-1148.371359
Nuclear repulsion energy	438.128036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3233	3072	0.00
2	A_g	1607	1527	0.00
3	A_g	1239	1177	0.00
4	A_g	1098	1043	0.00
5	A_g	744	707	0.00
6	A_g	316	300	0.00
7	A_u	891	846	0.00
8	A_u	414	394	0.00
9	B_1g	818	777	0.00
10	B_1u	3215	3055	0.30
11	B_1u	1524	1448	74.91
12	B_1u	1117	1061	75.53
13	B_1u	1038	986	81.77
14	B_1u	509	484	26.18
15	B_2g	860	818	0.00
16	B_2g	564	536	0.00
17	B_2g	288	274	0.00
18	B_2u	3231	3070	3.40
19	B_2u	1422	1351	6.80
20	B_2u	1374	1306	0.02
21	B_2u	1146	1089	3.67
22	B_2u	209	198	1.69
23	B_3g	3216	3055	0.00
24	B_3g	1614	1534	0.00
25	B_3g	1355	1287	0.00
26	B_3g	649	616	0.00
27	B_3g	344	327	0.00
28	B_3u	797	758	75.17
29	B_3u	483	459	18.58
30	B_3u	98	93	1.00

Atom	y (Å)	z (Å)
C1	0.000	1.392
C2	0.000	-1.392
C3	1.225	0.706
C4	-1.225	0.706
C5	-1.225	-0.706
C6	1.225	-0.706
Cl7	0.000	3.228
Cl8	0.000	-3.228
H9	2.165	1.256
H10	-2.165	1.256
H11	-2.165	-1.256
H12	2.165	-1.256

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7848	1.4047	1.4047	2.4299	2.4299	1.8354	4.6202	2.1695	2.1695	3.4205	3.4205
C2	2.7848		2.4299	2.4299	1.4047	1.4047	4.6202	1.8354	3.4205	3.4205	2.1695	2.1695
C3	1.4047	2.4299		2.4509	2.8285	1.4118	2.8039	4.1202	1.0887	3.4349	3.9171	2.1749
C4	1.4047	2.4299	2.4509		1.4118	2.8285	2.8039	4.1202	3.4349	1.0887	2.1749	3.9171
C5	2.4299	1.4047	2.8285	1.4118		2.4509	4.1202	2.8039	3.9171	2.1749	1.0887	3.4349
C6	2.4299	1.4047	1.4118	2.8285	2.4509		4.1202	2.8039	2.1749	3.9171	3.4349	1.0887
Cl7	1.8354	4.6202	2.8039	2.8039	4.1202	4.1202		6.4557	2.9288	2.9288	4.9788	4.9788
Cl8	4.6202	1.8354	4.1202	4.1202	2.8039	2.8039	6.4557		4.9788	4.9788	2.9288	2.9288
H9	2.1695	3.4205	1.0887	3.4349	3.9171	2.1749	2.9288	4.9788		4.3304	5.0058	2.5110
H10	2.1695	3.4205	3.4349	1.0887	2.1749	3.9171	2.9288	4.9788	4.3304		2.5110	5.0058
H11	3.4205	2.1695	3.9171	2.1749	1.0887	3.4349	4.9788	2.9288	5.0058	2.5110		4.3304
H12	3.4205	2.1695	2.1749	3.9171	3.4349	1.0887	4.9788	2.9288	2.5110	5.0058	4.3304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.258	C1	C3	H9	120.419
C1	C4	C5	119.258	C1	C4	H10	120.419
C2	C5	C4	119.258	C2	C5	H11	120.419
C2	C6	C3	119.258	C2	C6	H12	120.419
C3	C1	C4	121.484	C3	C1	Cl7	119.258
C3	C6	H12	120.323	C4	C1	Cl7	119.258
C4	C5	H11	120.323	C5	C2	C6	121.484
C5	C2	Cl8	119.258	C5	C4	H10	120.323
C6	C2	Cl8	119.258	C6	C3	H9	120.323

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

using model chemistry: MP2=FULL/6-31G

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=FULL/6-31G

States and conformations

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