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	hartrees
Energy at 0K	-1143.509490
Energy at 298.15K	-1143.513595
HF Energy	-1142.841733
Nuclear repulsion energy	438.738196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3202	3104	0.00
2	A_g	1592	1543	0.00
3	A_g	1237	1199	0.00
4	A_g	1092	1059	0.00
5	A_g	743	720	0.00
6	A_g	316	306	0.00
7	A_u	971	941	0.00
8	A_u	429	416	0.00
9	B_1g	851	825	0.00
10	B_1u	3185	3087	0.01
11	B_1u	1532	1485	69.52
12	B_1u	1109	1075	91.43
13	B_1u	1057	1024	57.91
14	B_1u	499	484	26.13
15	B_2g	944	915	0.00
16	B_2g	713	691	0.00
17	B_2g	299	289	0.00
18	B_2u	3199	3101	0.55
19	B_2u	1424	1380	8.63
20	B_2u	1204	1167	3.80
21	B_2u	1132	1097	1.17
22	B_2u	200	194	2.01
23	B_3g	3185	3087	0.00
24	B_3g	1597	1548	0.00
25	B_3g	1365	1323	0.00
26	B_3g	664	643	0.00
27	B_3g	332	321	0.00
28	B_3u	850	824	70.97
29	B_3u	502	486	25.77
30	B_3u	101	98	1.05

Atom	y (Å)	z (Å)
C1	0.000	1.380
C2	0.000	-1.380
C3	1.222	0.704
C4	-1.222	0.704
C5	-1.222	-0.704
C6	1.222	-0.704
Cl7	0.000	3.227
Cl8	0.000	-3.227
H9	2.157	1.258
H10	-2.157	1.258
H11	-2.157	-1.258
H12	2.157	-1.258

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7610	1.3967	1.3967	2.4160	2.4160	1.8465	4.6075	2.1605	2.1605	3.4084	3.4084
C2	2.7610		2.4160	2.4160	1.3967	1.3967	4.6075	1.8465	3.4084	3.4084	2.1605	2.1605
C3	1.3967	2.4160		2.4437	2.8201	1.4076	2.8035	4.1163	1.0873	3.4241	3.9074	2.1737
C4	1.3967	2.4160	2.4437		1.4076	2.8201	2.8035	4.1163	3.4241	1.0873	2.1737	3.9074
C5	2.4160	1.3967	2.8201	1.4076		2.4437	4.1163	2.8035	3.9074	2.1737	1.0873	3.4241
C6	2.4160	1.3967	1.4076	2.8201	2.4437		4.1163	2.8035	2.1737	3.9074	3.4241	1.0873
Cl7	1.8465	4.6075	2.8035	2.8035	4.1163	4.1163		6.4539	2.9202	2.9202	4.9772	4.9772
Cl8	4.6075	1.8465	4.1163	4.1163	2.8035	2.8035	6.4539		4.9772	4.9772	2.9202	2.9202
H9	2.1605	3.4084	1.0873	3.4241	3.9074	2.1737	2.9202	4.9772		4.3141	4.9947	2.5170
H10	2.1605	3.4084	3.4241	1.0873	2.1737	3.9074	2.9202	4.9772	4.3141		2.5170	4.9947
H11	3.4084	2.1605	3.9074	2.1737	1.0873	3.4241	4.9772	2.9202	4.9947	2.5170		4.3141
H12	3.4084	2.1605	2.1737	3.9074	3.4241	1.0873	4.9772	2.9202	2.5170	4.9947	4.3141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.979	C1	C3	H9	120.348
C1	C4	C5	118.979	C1	C4	H10	120.348
C2	C5	C4	118.979	C2	C5	H11	120.348
C2	C6	C3	118.979	C2	C6	H12	120.348
C3	C1	C4	122.043	C3	C1	Cl7	118.979
C3	C6	H12	120.673	C4	C1	Cl7	118.979
C4	C5	H11	120.673	C5	C2	C6	122.043
C5	C2	Cl8	118.979	C5	C4	H10	120.673
C6	C2	Cl8	118.979	C6	C3	H9	120.673

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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