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	hartrees
Energy at 0K	-1149.639304
Energy at 298.15K	-1149.643457
HF Energy	-1148.558871
Nuclear repulsion energy	450.306851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3103	1.23
2	A₁	3264	3103	1.07
3	A₁	3236	3076	3.36
4	A₁	1631	1550	22.78
5	A₁	1441	1369	14.24
6	A₁	1162	1105	20.63
7	A₁	1099	1045	10.09
8	A₁	1006	956	4.25
9	A₁	672	638	1.28
10	A₁	407	386	2.29
11	A₁	198	188	0.37
12	A₂	890	846	0.00
13	A₂	533	506	0.00
14	A₂	203	193	0.00
15	B₁	955	907	0.01
16	B₁	860	817	7.14
17	B₁	774	736	52.62
18	B₁	616	586	3.02
19	B₁	435	414	3.75
20	B₁	169	160	0.11
21	B₂	3260	3098	0.22
22	B₂	1635	1554	67.39
23	B₂	1496	1422	49.76
24	B₂	1475	1402	14.80
25	B₂	1283	1220	4.10
26	B₂	1179	1121	0.34
27	B₂	1110	1055	18.12
28	B₂	807	767	66.98
29	B₂	432	411	2.35
30	B₂	368	350	0.19

Atom	y (Å)	z (Å)
C1	0.000	2.087
C2	1.221	1.396
C3	-1.221	1.396
C4	1.205	-0.007
C5	-1.205	-0.007
C6	0.000	-0.724
Cl7	2.710	-0.885
Cl8	-2.710	-0.885
H9	0.000	3.181
H10	2.173	1.932
H11	-2.173	1.932
H12	0.000	-1.816

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4030	1.4030	2.4153	2.4153	2.8107	4.0215	4.0215	1.0939	2.1787	2.1787	3.9023
C2	1.4030		2.4427	1.4029	2.8027	2.4468	2.7237	4.5450	2.1623	1.0921	3.4365	3.4362
C3	1.4030	2.4427		2.8027	1.4029	2.4468	4.5450	2.7237	2.1623	3.4365	1.0921	3.4362
C4	2.4153	1.4029	2.8027		2.4101	1.4024	1.7423	4.0121	3.4073	2.1666	3.8948	2.1737
C5	2.4153	2.8027	1.4029	2.4101		1.4024	4.0121	1.7423	3.4073	3.8948	2.1666	2.1737
C6	2.8107	2.4468	2.4468	1.4024	1.4024		2.7146	2.7146	3.9045	3.4315	3.4315	1.0916
Cl7	4.0215	2.7237	4.5450	1.7423	4.0121	2.7146		5.4196	4.8857	2.8671	5.6370	2.8652
Cl8	4.0215	4.5450	2.7237	4.0121	1.7423	2.7146	5.4196		4.8857	5.6370	2.8671	2.8652
H9	1.0939	2.1623	2.1623	3.4073	3.4073	3.9045	4.8857	4.8857		2.5065	2.5065	4.9962
H10	2.1787	1.0921	3.4365	2.1666	3.8948	3.4315	2.8671	5.6370	2.5065		4.3464	4.3319
H11	2.1787	3.4365	1.0921	3.8948	2.1666	3.4315	5.6370	2.8671	2.5065	4.3464		4.3319
H12	3.9023	3.4362	3.4362	2.1737	2.1737	1.0916	2.8652	2.8652	4.9962	4.3319	4.3319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.814	C1	C2	H10	121.159
C1	C3	C5	118.814	C1	C3	H11	121.159
C2	C1	C3	121.037	C2	C1	H9	119.481
C2	C4	C6	121.435	C2	C4	Cl7	119.602
C3	C1	H9	119.481	C3	C5	C6	121.435
C3	C5	Cl8	119.602	C4	C2	H10	120.026
C4	C6	C5	118.464	C4	C6	H12	120.768
C5	C3	H11	120.026	C5	C6	H12	120.768
C6	C4	Cl7	118.963	C6	C5	Cl8	118.963

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

using model chemistry: MP2=FULL/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=FULL/cc-pVDZ

States and conformations

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