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	hartrees
Energy at 0K	-1149.647801
Energy at 298.15K	-1149.651743
HF Energy	-1148.507230
Nuclear repulsion energy	447.217137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3267	3099
2	A_g	1653	1568
3	A_g	1213	1151
4	A_g	1127	1069
5	A_g	762	723
6	A_g	330	313
7	A_u	904	857
8	A_u	398	377
9	B_1g	812	770
10	B_1u	3252	3084
11	B_1u	1535	1456
12	B_1u	1132	1074
13	B_1u	1022	969
14	B_1u	556	527
15	B_2g	871	826
16	B_2g	499	473
17	B_2g	289	275
18	B_2u	3266	3098
19	B_2u	1440	1366
20	B_2u	1314	1247
21	B_2u	1136	1077
22	B_2u	221	210
23	B_3g	3253	3085
24	B_3g	1635	1551
25	B_3g	1328	1260
26	B_3g	637	604
27	B_3g	353	335
28	B_3u	787	747
29	B_3u	467	443
30	B_3u	102	97

Atom	y (Å)	z (Å)
C1	0.000	1.390
C2	0.000	-1.390
C3	1.217	0.700
C4	-1.217	0.700
C5	-1.217	-0.700
C6	1.217	-0.700
Cl7	0.000	3.137
Cl8	0.000	-3.137
H9	2.151	1.247
H10	-2.151	1.247
H11	-2.151	-1.247
H12	2.151	-1.247

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7797	1.3990	1.3990	2.4179	2.4179	1.7475	4.5272	2.1558	2.1558	3.4027	3.4027
C2	2.7797		2.4179	2.4179	1.3990	1.3990	4.5272	1.7475	3.4027	3.4027	2.1558	2.1558
C3	1.3990	2.4179		2.4336	2.8071	1.3991	2.7246	4.0253	1.0827	3.4120	3.8898	2.1589
C4	1.3990	2.4179	2.4336		1.3991	2.8071	2.7246	4.0253	3.4120	1.0827	2.1589	3.8898
C5	2.4179	1.3990	2.8071	1.3991		2.4336	4.0253	2.7246	3.8898	2.1589	1.0827	3.4120
C6	2.4179	1.3990	1.3991	2.8071	2.4336		4.0253	2.7246	2.1589	3.8898	3.4120	1.0827
Cl7	1.7475	4.5272	2.7246	2.7246	4.0253	4.0253		6.2748	2.8639	2.8639	4.8834	4.8834
Cl8	4.5272	1.7475	4.0253	4.0253	2.7246	2.7246	6.2748		4.8834	4.8834	2.8639	2.8639
H9	2.1558	3.4027	1.0827	3.4120	3.8898	2.1589	2.8639	4.8834		4.3021	4.9724	2.4934
H10	2.1558	3.4027	3.4120	1.0827	2.1589	3.8898	2.8639	4.8834	4.3021		2.4934	4.9724
H11	3.4027	2.1558	3.8898	2.1589	1.0827	3.4120	4.8834	2.8639	4.9724	2.4934		4.3021
H12	3.4027	2.1558	2.1589	3.8898	3.4120	1.0827	4.8834	2.8639	2.4934	4.9724	4.3021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.566	C1	C3	H9	120.079
C1	C4	C5	119.566	C1	C4	H10	120.079
C2	C5	C4	119.566	C2	C5	H11	120.079
C2	C6	C3	119.566	C2	C6	H12	120.079
C3	C1	C4	120.868	C3	C1	Cl7	119.566
C3	C6	H12	120.354	C4	C1	Cl7	119.566
C4	C5	H11	120.354	C5	C2	C6	120.868
C5	C2	Cl8	119.566	C5	C4	H10	120.354
C6	C2	Cl8	119.566	C6	C3	H9	120.354

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G**

States and conformations

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