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	hartrees
Energy at 0K	-1149.608229
Energy at 298.15K
HF Energy	-1148.514335
Nuclear repulsion energy	448.650178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3314	3083	0.00
2	A_g	1691	1573	0.00
3	A_g	1233	1147	0.00
4	A_g	1150	1071	0.00
5	A_g	780	726	0.00
6	A_g	338	314	0.00
7	A_u	924	860	0.00
8	A_u	391	364	0.00
9	B_1g	827	769	0.00
10	B_1u	3298	3069	1.71
11	B_1u	1563	1455	96.47
12	B_1u	1156	1075	94.09
13	B_1u	1043	971	49.71
14	B_1u	568	528	24.50
15	B_2g	875	814	0.00
16	B_2g	278	259	0.00
17	B_2g	508i	472i	0.00
18	B_2u	3312	3082	2.57
19	B_2u	1465	1363	5.23
20	B_2u	1280	1191	0.32
21	B_2u	1153	1073	3.78
22	B_2u	223	208	0.83
23	B_3g	3298	3069	0.00
24	B_3g	1669	1553	0.00
25	B_3g	1352	1258	0.00
26	B_3g	649	604	0.00
27	B_3g	358	333	0.00
28	B_3u	795	740	70.77
29	B_3u	401	373	12.48
30	B_3u	98	91	0.30

Atom	y (Å)	z (Å)
C1	0.000	1.386
C2	0.000	-1.386
C3	1.212	0.698
C4	-1.212	0.698
C5	-1.212	-0.698
C6	1.212	-0.698
Cl7	0.000	3.128
Cl8	0.000	-3.128
H9	2.144	1.242
H10	-2.144	1.242
H11	-2.144	-1.242
H12	2.144	-1.242

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7725	1.3941	1.3941	2.4107	2.4107	1.7417	4.5142	2.1491	2.1491	3.3917	3.3917
C2	2.7725		2.4107	2.4107	1.3941	1.3941	4.5142	1.7417	3.3917	3.3917	2.1491	2.1491
C3	1.3941	2.4107		2.4241	2.7969	1.3951	2.7159	4.0129	1.0794	3.4001	3.8762	2.1516
C4	1.3941	2.4107	2.4241		1.3951	2.7969	2.7159	4.0129	3.4001	1.0794	2.1516	3.8762
C5	2.4107	1.3941	2.7969	1.3951		2.4241	4.0129	2.7159	3.8762	2.1516	1.0794	3.4001
C6	2.4107	1.3941	1.3951	2.7969	2.4241		4.0129	2.7159	2.1516	3.8762	3.4001	1.0794
Cl7	1.7417	4.5142	2.7159	2.7159	4.0129	4.0129		6.2559	2.8559	2.8559	4.8673	4.8673
Cl8	4.5142	1.7417	4.0129	4.0129	2.7159	2.7159	6.2559		4.8673	4.8673	2.8559	2.8559
H9	2.1491	3.3917	1.0794	3.4001	3.8762	2.1516	2.8559	4.8673		4.2885	4.9556	2.4832
H10	2.1491	3.3917	3.4001	1.0794	2.1516	3.8762	2.8559	4.8673	4.2885		2.4832	4.9556
H11	3.3917	2.1491	3.8762	2.1516	1.0794	3.4001	4.8673	2.8559	4.9556	2.4832		4.2885
H12	3.3917	2.1491	2.1516	3.8762	3.4001	1.0794	4.8673	2.8559	2.4832	4.9556	4.2885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.607	C1	C3	H9	120.123
C1	C4	C5	119.607	C1	C4	H10	120.123
C2	C5	C4	119.607	C2	C5	H11	120.123
C2	C6	C3	119.607	C2	C6	H12	120.123
C3	C1	C4	120.786	C3	C1	Cl7	119.607
C3	C6	H12	120.271	C4	C1	Cl7	119.607
C4	C5	H11	120.271	C5	C2	C6	120.786
C5	C2	Cl8	119.607	C5	C4	H10	120.271
C6	C2	Cl8	119.607	C6	C3	H9	120.271

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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