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	hartrees
Energy at 0K	-1149.807786
Energy at 298.15K
HF Energy	-1148.612307
Nuclear repulsion energy	446.882538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3227	3107
2	A_g	1609	1549
3	A_g	1197	1152
4	A_g	1105	1064
5	A_g	751	723
6	A_g	326	314
7	A_u	646	622
8	A_u	152i	146i
9	B_1g	712	686
10	B_1u	3210	3091
11	B_1u	1504	1449
12	B_1u	1108	1067
13	B_1u	1002	965
14	B_1u	544	524
15	B_2g	746	718
16	B_2g	219	211
17	B_2g	1498i	1443i
18	B_2u	3225	3105
19	B_2u	1413	1361
20	B_2u	1327	1278
21	B_2u	1120	1078
22	B_2u	216	208
23	B_3g	3212	3093
24	B_3g	1601	1541
25	B_3g	1312	1264
26	B_3g	630	606
27	B_3g	346	333
28	B_3u	652	628
29	B_3u	221	213
30	B_3u	145	140

Atom	y (Å)	z (Å)
C1	0.000	1.387
C2	0.000	-1.387
C3	1.215	0.699
C4	-1.215	0.699
C5	-1.215	-0.699
C6	1.215	-0.699
Cl7	0.000	3.143
Cl8	0.000	-3.143
H9	2.150	1.246
H10	-2.150	1.246
H11	-2.150	-1.246
H12	2.150	-1.246

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7735	1.3960	1.3960	2.4132	2.4132	1.7567	4.5302	2.1546	2.1546	3.3992	3.3992
C2	2.7735		2.4132	2.4132	1.3960	1.3960	4.5302	1.7567	3.3992	3.3992	2.1546	2.1546
C3	1.3960	2.4132		2.4292	2.8023	1.3972	2.7300	4.0295	1.0839	3.4089	3.8862	2.1580
C4	1.3960	2.4132	2.4292		1.3972	2.8023	2.7300	4.0295	3.4089	1.0839	2.1580	3.8862
C5	2.4132	1.3960	2.8023	1.3972		2.4292	4.0295	2.7300	3.8862	2.1580	1.0839	3.4089
C6	2.4132	1.3960	1.3972	2.8023	2.4292		4.0295	2.7300	2.1580	3.8862	3.4089	1.0839
Cl7	1.7567	4.5302	2.7300	2.7300	4.0295	4.0295		6.2870	2.8675	2.8675	4.8879	4.8879
Cl8	4.5302	1.7567	4.0295	4.0295	2.7300	2.7300	6.2870		4.8879	4.8879	2.8675	2.8675
H9	2.1546	3.3992	1.0839	3.4089	3.8862	2.1580	2.8675	4.8879		4.3000	4.9701	2.4923
H10	2.1546	3.3992	3.4089	1.0839	2.1580	3.8862	2.8675	4.8879	4.3000		2.4923	4.9701
H11	3.3992	2.1546	3.8862	2.1580	1.0839	3.4089	4.8879	2.8675	4.9701	2.4923		4.3000
H12	3.3992	2.1546	2.1580	3.8862	3.4089	1.0839	4.8879	2.8675	2.4923	4.9701	4.3000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.535	C1	C3	H9	120.122
C1	C4	C5	119.535	C1	C4	H10	120.122
C2	C5	C4	119.535	C2	C5	H11	120.122
C2	C6	C3	119.535	C2	C6	H12	120.122
C3	C1	C4	120.930	C3	C1	Cl7	119.535
C3	C6	H12	120.343	C4	C1	Cl7	119.535
C4	C5	H11	120.343	C5	C2	C6	120.930
C5	C2	Cl8	119.535	C5	C4	H10	120.343
C6	C2	Cl8	119.535	C6	C3	H9	120.343

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

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

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