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	hartrees
Energy at 0K	-1149.623314
Energy at 298.15K
HF Energy	-1148.513996
Nuclear repulsion energy	452.647140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3090	2.92
2	A₁	3288	3089	0.10
3	A₁	3266	3067	3.70
4	A₁	1643	1544	24.02
5	A₁	1463	1374	11.76
6	A₁	1171	1100	19.92
7	A₁	1116	1048	15.27
8	A₁	1017	955	4.21
9	A₁	681	640	1.45
10	A₁	410	385	2.15
11	A₁	200	188	0.29
12	A₂	854	802	0.00
13	A₂	403	378	0.00
14	A₂	190	179	0.00
15	B₁	903	848	0.36
16	B₁	822	772	2.20
17	B₁	750	705	81.14
18	B₁	405	380	4.32
19	B₁	159	150	0.33
20	B₁	353i	331i	0.06
21	B₂	3285	3085	0.65
22	B₂	1648	1548	80.53
23	B₂	1519	1427	57.59
24	B₂	1468	1378	1.37
25	B₂	1322	1241	2.55
26	B₂	1213	1139	0.73
27	B₂	1133	1064	22.97
28	B₂	815	766	70.36
29	B₂	437	411	2.55
30	B₂	373	350	0.33

Atom	y (Å)	z (Å)
C1	0.000	2.076
C2	1.214	1.389
C3	-1.214	1.389
C4	1.199	-0.005
C5	-1.199	-0.005
C6	0.000	-0.718
Cl7	2.697	-0.881
Cl8	-2.697	-0.881
H9	0.000	3.158
H10	2.156	1.920
H11	-2.156	1.920
H12	0.000	-1.799

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3954	1.3954	2.4022	2.4022	2.7945	4.0028	4.0028	1.0818	2.1612	2.1612	3.8750
C2	1.3954		2.4289	1.3948	2.7871	2.4322	2.7117	4.5228	2.1458	1.0807	3.4116	3.4113
C3	1.3954	2.4289		2.7871	1.3948	2.4322	4.5228	2.7117	2.1458	3.4116	1.0807	3.4113
C4	2.4022	1.3948	2.7871		2.3971	1.3944	1.7358	3.9930	3.3831	2.1506	3.8677	2.1568
C5	2.4022	2.7871	1.3948	2.3971		1.3944	3.9930	1.7358	3.3831	3.8677	2.1506	2.1568
C6	2.7945	2.4322	2.4322	1.3944	1.3944		2.7022	2.7022	3.8764	3.4071	3.4071	1.0805
Cl7	4.0028	2.7117	4.5228	1.7358	3.9930	2.7022		5.3945	4.8571	2.8535	5.6035	2.8490
Cl8	4.0028	4.5228	2.7117	3.9930	1.7358	2.7022	5.3945		4.8571	5.6035	2.8535	2.8490
H9	1.0818	2.1458	2.1458	3.3831	3.3831	3.8764	4.8571	4.8571		2.4857	2.4857	4.9569
H10	2.1612	1.0807	3.4116	2.1506	3.8677	3.4071	2.8535	5.6035	2.4857		4.3112	4.2986
H11	2.1612	3.4116	1.0807	3.8677	2.1506	3.4071	5.6035	2.8535	2.4857	4.3112		4.2986
H12	3.8750	3.4113	3.4113	2.1568	2.1568	1.0805	2.8490	2.8490	4.9569	4.2986	4.2986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.850	C1	C2	H10	121.056
C1	C3	C5	118.850	C1	C3	H11	121.056
C2	C1	C3	120.994	C2	C1	H9	119.503
C2	C4	C6	121.387	C2	C4	Cl7	119.645
C3	C1	H9	119.503	C3	C5	C6	121.387
C3	C5	Cl8	119.645	C4	C2	H10	120.094
C4	C6	C5	118.530	C4	C6	H12	120.735
C5	C3	H11	120.094	C5	C6	H12	120.735
C6	C4	Cl7	118.968	C6	C5	Cl8	118.968

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

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

States and conformations

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