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	hartrees
Energy at 0K	-1148.998473
Energy at 298.15K	-1149.002411
HF Energy	-1148.370823
Nuclear repulsion energy	441.528679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3075	1.77
2	A₁	3233	3071	4.37
3	A₁	3202	3043	4.03
4	A₁	1612	1532	26.95
5	A₁	1452	1380	10.48
6	A₁	1148	1090	7.50
7	A₁	1096	1041	21.54
8	A₁	1016	965	6.52
9	A₁	676	642	1.58
10	A₁	378	360	3.18
11	A₁	186	177	0.77
12	A₂	858	815	0.00
13	A₂	523	497	0.00
14	A₂	199	189	0.00
15	B₁	879	835	0.68
16	B₁	835	794	6.16
17	B₁	758	720	85.13
18	B₁	552	524	0.61
19	B₁	433	412	4.21
20	B₁	163	155	0.01
21	B₂	3225	3064	0.98
22	B₂	1607	1527	75.93
23	B₂	1508	1433	44.48
24	B₂	1382	1313	0.10
25	B₂	1338	1271	2.14
26	B₂	1234	1173	0.28
27	B₂	1119	1063	15.92
28	B₂	765	727	67.49
29	B₂	419	398	5.20
30	B₂	352	335	0.32

Atom	y (Å)	z (Å)
C1	0.000	2.118
C2	1.227	1.419
C3	-1.227	1.419
C4	1.204	0.015
C5	-1.204	0.015
C6	0.000	-0.710
Cl7	2.789	-0.911
Cl8	-2.789	-0.911
H9	0.000	3.208
H10	2.176	1.952
H11	-2.176	1.952
H12	0.000	-1.797

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4119	1.4119	2.4234	2.4234	2.8273	4.1170	4.1170	1.0898	2.1821	2.1821	3.9150
C2	1.4119		2.4538	1.4046	2.8075	2.4569	2.8050	4.6427	2.1688	1.0884	3.4443	3.4424
C3	1.4119	2.4538		2.8075	1.4046	2.4569	4.6427	2.8050	2.1688	3.4443	1.0884	3.4424
C4	2.4234	1.4046	2.8075		2.4082	1.4051	1.8352	4.0988	3.4124	2.1676	3.8959	2.1755
C5	2.4234	2.8075	1.4046	2.4082		1.4051	4.0988	1.8352	3.4124	3.8959	2.1676	2.1755
C6	2.8273	2.4569	2.4569	1.4051	1.4051		2.7961	2.7961	3.9171	3.4379	3.4379	1.0877
Cl7	4.1170	2.8050	4.6427	1.8352	4.0988	2.7961		5.5777	4.9738	2.9279	5.7311	2.9263
Cl8	4.1170	4.6427	2.8050	4.0988	1.8352	2.7961	5.5777		4.9738	5.7311	2.9279	2.9263
H9	1.0898	2.1688	2.1688	3.4124	3.4124	3.9171	4.9738	4.9738		2.5120	2.5120	5.0048
H10	2.1821	1.0884	3.4443	2.1676	3.8959	3.4379	2.9279	5.7311	2.5120		4.3517	4.3351
H11	2.1821	3.4443	1.0884	3.8959	2.1676	3.4379	5.7311	2.9279	2.5120	4.3517		4.3351
H12	3.9150	3.4424	3.4424	2.1755	2.1755	1.0877	2.9263	2.9263	5.0048	4.3351	4.3351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.727	C1	C2	H10	121.015
C1	C3	C5	118.727	C1	C3	H11	121.015
C2	C1	C3	120.684	C2	C1	H9	119.658
C2	C4	C6	121.957	C2	C4	Cl7	119.353
C3	C1	H9	119.658	C3	C5	C6	121.957
C3	C5	Cl8	119.353	C4	C2	H10	120.258
C4	C6	C5	117.948	C4	C6	H12	121.026
C5	C3	H11	120.258	C5	C6	H12	121.026
C6	C4	Cl7	118.690	C6	C5	Cl8	118.690

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)

using model chemistry: MP2=FULL/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 (1,3-dichlorobenzene)

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

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)