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	hartrees
Energy at 0K	-1148.904467
Energy at 298.15K	-1148.908784
HF Energy	-1148.375426
Nuclear repulsion energy	441.996776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3313	3107	0.00
2	A_g	1704	1598	0.00
3	A_g	1276	1197	0.00
4	A_g	1151	1079	0.00
5	A_g	775	727	0.00
6	A_g	331	311	0.00
7	A_u	1008	945	0.00
8	A_u	440	413	0.00
9	B_1g	891	836	0.00
10	B_1u	3293	3088	0.35
11	B_1u	1594	1495	90.55
12	B_1u	1161	1089	78.79
13	B_1u	1078	1011	91.93
14	B_1u	533	500	30.92
15	B_2g	966	906	0.00
16	B_2g	699	655	0.00
17	B_2g	309	290	0.00
18	B_2u	3309	3104	2.75
19	B_2u	1487	1395	8.51
20	B_2u	1304	1222	2.69
21	B_2u	1186	1112	2.43
22	B_2u	217	204	2.09
23	B_3g	3294	3089	0.00
24	B_3g	1705	1599	0.00
25	B_3g	1404	1317	0.00
26	B_3g	676	634	0.00
27	B_3g	359	336	0.00
28	B_3u	883	828	74.75
29	B_3u	525	492	24.16
30	B_3u	104	98	1.25

Atom	y (Å)	z (Å)
C1	0.000	1.380
C2	0.000	-1.380
C3	1.215	0.700
C4	-1.215	0.700
C5	-1.215	-0.700
C6	1.215	-0.700
Cl7	0.000	3.199
Cl8	0.000	-3.199
H9	2.148	1.246
H10	-2.148	1.246
H11	-2.148	-1.246
H12	2.148	-1.246

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7593	1.3920	1.3920	2.4082	2.4082	1.8195	4.5788	2.1518	2.1518	3.3925	3.3925
C2	2.7593		2.4082	2.4082	1.3920	1.3920	4.5788	1.8195	3.3925	3.3925	2.1518	2.1518
C3	1.3920	2.4082		2.4294	2.8037	1.3996	2.7789	4.0838	1.0814	3.4065	3.8851	2.1583
C4	1.3920	2.4082	2.4294		1.3996	2.8037	2.7789	4.0838	3.4065	1.0814	2.1583	3.8851
C5	2.4082	1.3920	2.8037	1.3996		2.4294	4.0838	2.7789	3.8851	2.1583	1.0814	3.4065
C6	2.4082	1.3920	1.3996	2.8037	2.4294		4.0838	2.7789	2.1583	3.8851	3.4065	1.0814
Cl7	1.8195	4.5788	2.7789	2.7789	4.0838	4.0838		6.3983	2.9027	2.9027	4.9372	4.9372
Cl8	4.5788	1.8195	4.0838	4.0838	2.7789	2.7789	6.3983		4.9372	4.9372	2.9027	2.9027
H9	2.1518	3.3925	1.0814	3.4065	3.8851	2.1583	2.9027	4.9372		4.2954	4.9664	2.4930
H10	2.1518	3.3925	3.4065	1.0814	2.1583	3.8851	2.9027	4.9372	4.2954		2.4930	4.9664
H11	3.3925	2.1518	3.8851	2.1583	1.0814	3.4065	4.9372	2.9027	4.9664	2.4930		4.2954
H12	3.3925	2.1518	2.1583	3.8851	3.4065	1.0814	4.9372	2.9027	2.4930	4.9664	4.2954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.235	C1	C3	H9	120.396
C1	C4	C5	119.235	C1	C4	H10	120.396
C2	C5	C4	119.235	C2	C5	H11	120.396
C2	C6	C3	119.235	C2	C6	H12	120.396
C3	C1	C4	121.530	C3	C1	Cl7	119.235
C3	C6	H12	120.369	C4	C1	Cl7	119.235
C4	C5	H11	120.369	C5	C2	C6	121.530
C5	C2	Cl8	119.235	C5	C4	H10	120.369
C6	C2	Cl8	119.235	C6	C3	H9	120.369

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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