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	hartrees
Energy at 0K	-1149.611610
Energy at 298.15K	-1149.615739
HF Energy	-1148.558529
Nuclear repulsion energy	449.879884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3104	1.27
2	A₁	3259	3104	1.07
3	A₁	3231	3077	3.40
4	A₁	1628	1550	22.73
5	A₁	1439	1370	14.14
6	A₁	1160	1105	20.72
7	A₁	1097	1045	10.16
8	A₁	1005	958	4.20
9	A₁	671	639	1.28
10	A₁	406	386	2.32
11	A₁	197	188	0.38
12	A₂	885	843	0.00
13	A₂	528	503	0.00
14	A₂	202	193	0.00
15	B₁	950	905	0.02
16	B₁	855	814	6.90
17	B₁	770	734	53.35
18	B₁	609	580	2.58
19	B₁	433	412	3.74
20	B₁	168	160	0.11
21	B₂	3254	3099	0.23
22	B₂	1632	1554	67.05
23	B₂	1493	1422	51.89
24	B₂	1471	1401	12.50
25	B₂	1282	1221	4.16
26	B₂	1178	1122	0.33
27	B₂	1108	1056	18.32
28	B₂	805	767	67.13
29	B₂	431	411	2.41
30	B₂	367	349	0.19

Atom	y (Å)	z (Å)
C1	0.000	2.089
C2	1.222	1.398
C3	-1.222	1.398
C4	1.206	-0.006
C5	-1.206	-0.006
C6	0.000	-0.725
Cl7	2.712	-0.886
Cl8	-2.712	-0.886
H9	0.000	3.183
H10	2.175	1.934
H11	-2.175	1.934
H12	0.000	-1.817

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4042	1.4042	2.4173	2.4173	2.8134	4.0253	4.0253	1.0948	2.1807	2.1807	3.9060
C2	1.4042		2.4449	1.4041	2.8050	2.4493	2.7263	4.5493	2.1642	1.0931	3.4396	3.4396
C3	1.4042	2.4449		2.8050	1.4041	2.4493	4.5493	2.7263	2.1642	3.4396	1.0931	3.4396
C4	2.4173	1.4041	2.8050		2.4119	1.4037	1.7442	4.0158	3.4102	2.1686	3.8981	2.1758
C5	2.4173	2.8050	1.4041	2.4119		1.4037	4.0158	1.7442	3.4102	3.8981	2.1686	2.1758
C6	2.8134	2.4493	2.4493	1.4037	1.4037		2.7172	2.7172	3.9083	3.4348	3.4348	1.0926
Cl7	4.0253	2.7263	4.5493	1.7442	4.0158	2.7172		5.4248	4.8902	2.8698	5.6423	2.8680
Cl8	4.0253	4.5493	2.7263	4.0158	1.7442	2.7172	5.4248		4.8902	5.6423	2.8698	2.8680
H9	1.0948	2.1642	2.1642	3.4102	3.4102	3.9083	4.8902	4.8902		2.5087	2.5087	5.0009
H10	2.1807	1.0931	3.4396	2.1686	3.8981	3.4348	2.8698	5.6423	2.5087		4.3503	4.3360
H11	2.1807	3.4396	1.0931	3.8981	2.1686	3.4348	5.6423	2.8698	2.5087	4.3503		4.3360
H12	3.9060	3.4396	3.4396	2.1758	2.1758	1.0926	2.8680	2.8680	5.0009	4.3360	4.3360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.806	C1	C2	H10	121.162
C1	C3	C5	118.806	C1	C3	H11	121.162
C2	C1	C3	121.042	C2	C1	H9	119.479
C2	C4	C6	121.456	C2	C4	Cl7	119.594
C3	C1	H9	119.479	C3	C5	C6	121.456
C3	C5	Cl8	119.594	C4	C2	H10	120.032
C4	C6	C5	118.434	C4	C6	H12	120.783
C5	C3	H11	120.032	C5	C6	H12	120.783
C6	C4	Cl7	118.950	C6	C5	Cl8	118.950

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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