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	hartrees
Energy at 0K	-1149.623121
Energy at 298.15K
HF Energy	-1148.514205
Nuclear repulsion energy	449.037133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3287	3088	0.00
2	A_g	1654	1553	0.00
3	A_g	1222	1148	0.00
4	A_g	1138	1069	0.00
5	A_g	772	725	0.00
6	A_g	335	315	0.00
7	A_u	904	849	0.00
8	A_u	387	364	0.00
9	B_1g	810	761	0.00
10	B_1u	3273	3074	1.12
11	B_1u	1534	1441	97.44
12	B_1u	1144	1074	97.46
13	B_1u	1033	970	50.01
14	B_1u	567	533	23.76
15	B_2g	862	810	0.00
16	B_2g	273	256	0.00
17	B_2g	566i	532i	0.00
18	B_2u	3286	3086	1.62
19	B_2u	1480	1390	1.30
20	B_2u	1418	1332	3.45
21	B_2u	1143	1074	5.15
22	B_2u	223	210	0.69
23	B_3g	3274	3075	0.00
24	B_3g	1638	1539	0.00
25	B_3g	1334	1253	0.00
26	B_3g	641	602	0.00
27	B_3g	357	335	0.00
28	B_3u	777	730	73.53
29	B_3u	389	365	11.91
30	B_3u	96	90	0.24

Atom	y (Å)	z (Å)
C1	0.000	1.388
C2	0.000	-1.388
C3	1.212	0.697
C4	-1.212	0.697
C5	-1.212	-0.697
C6	1.212	-0.697
Cl7	0.000	3.123
Cl8	0.000	-3.123
H9	2.146	1.242
H10	-2.146	1.242
H11	-2.146	-1.242
H12	2.146	-1.242

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7755	1.3949	1.3949	2.4117	2.4117	1.7355	4.5111	2.1508	2.1508	3.3942	3.3942
C2	2.7755		2.4117	2.4117	1.3949	1.3949	4.5111	1.7355	3.3942	3.3942	2.1508	2.1508
C3	1.3949	2.4117		2.4241	2.7966	1.3945	2.7120	4.0082	1.0812	3.4019	3.8777	2.1525
C4	1.3949	2.4117	2.4241		1.3945	2.7966	2.7120	4.0082	3.4019	1.0812	2.1525	3.8777
C5	2.4117	1.3949	2.7966	1.3945		2.4241	4.0082	2.7120	3.8777	2.1525	1.0812	3.4019
C6	2.4117	1.3949	1.3945	2.7966	2.4241		4.0082	2.7120	2.1525	3.8777	3.4019	1.0812
Cl7	1.7355	4.5111	2.7120	2.7120	4.0082	4.0082		6.2466	2.8538	2.8538	4.8643	4.8643
Cl8	4.5111	1.7355	4.0082	4.0082	2.7120	2.7120	6.2466		4.8643	4.8643	2.8538	2.8538
H9	2.1508	3.3942	1.0812	3.4019	3.8777	2.1525	2.8538	4.8643		4.2918	4.9589	2.4841
H10	2.1508	3.3942	3.4019	1.0812	2.1525	3.8777	2.8538	4.8643	4.2918		2.4841	4.9589
H11	3.3942	2.1508	3.8777	2.1525	1.0812	3.4019	4.8643	2.8538	4.9589	2.4841		4.2918
H12	3.3942	2.1508	2.1525	3.8777	3.4019	1.0812	4.8643	2.8538	2.4841	4.9589	4.2918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.670	C1	C3	H9	120.070
C1	C4	C5	119.670	C1	C4	H10	120.070
C2	C5	C4	119.670	C2	C5	H11	120.070
C2	C6	C3	119.670	C2	C6	H12	120.070
C3	C1	C4	120.659	C3	C1	Cl7	119.670
C3	C6	H12	120.260	C4	C1	Cl7	119.670
C4	C5	H11	120.260	C5	C2	C6	120.659
C5	C2	Cl8	119.670	C5	C4	H10	120.260
C6	C2	Cl8	119.670	C6	C3	H9	120.260

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

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

States and conformations

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