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	hartrees
Energy at 0K	-1136.270355
Energy at 298.15K	-1136.274199
HF Energy	-1135.885041
Nuclear repulsion energy	457.811834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3535	3142	6.35
2	A₁	3521	3130	2.80
3	A₁	1696	1508	0.65
4	A₁	1590	1413	44.53
5	A₁	1278	1136	0.04
6	A₁	1257	1117	26.91
7	A₁	1207	1073	1.14
8	A₁	1102	980	0.03
9	A₁	704	625	7.59
10	A₁	500	444	3.66
11	A₁	188	167	0.37
12	A₂	1069	950	0.00
13	A₂	940	836	0.00
14	A₂	748	665	0.00
15	A₂	534	474	0.00
16	A₂	148	131	0.00
17	B₁	1031	916	1.44
18	B₁	816	725	25.83
19	B₁	462	411	0.18
20	B₁	240	213	0.48
21	B₂	3527	3135	24.32
22	B₂	3515	3124	1.39
23	B₂	1711	1521	4.48
24	B₂	1560	1387	17.85
25	B₂	1350	1200	4.18
26	B₂	1223	1087	12.46
27	B₂	1132	1006	19.05
28	B₂	810	720	7.06
29	B₂	438	389	1.57
30	B₂	335	298	0.52

Atom	y (Å)	z (Å)
C1	0.713	-0.014
C2	-0.713	-0.014
C3	1.422	1.218
C4	-1.422	1.218
C5	0.709	2.440
C6	-0.709	2.440
Cl7	1.642	-1.557
Cl8	-1.642	-1.557
H9	2.523	1.205
H10	-2.523	1.205
H11	1.263	3.392
H12	-1.263	3.392

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4270	1.4212	2.4652	2.4543	2.8365	1.8002	2.8152	2.1818	3.4584	3.4497	3.9375
C2	1.4270		2.4652	1.4212	2.8365	2.4543	2.8152	1.8002	3.4584	2.1818	3.9375	3.4497
C3	1.4212	2.4652		2.8433	1.4150	2.4559	2.7834	4.1330	1.1012	3.9445	2.1794	3.4539
C4	2.4652	1.4212	2.8433		2.4559	1.4150	4.1330	2.7834	3.9445	1.1012	3.4539	2.1794
C5	2.4543	2.8365	1.4150	2.4559		1.4170	4.1043	4.6365	2.1947	3.4593	1.1010	2.1887
C6	2.8365	2.4543	2.4559	1.4150	1.4170		4.6365	4.1043	3.4593	2.1947	2.1887	1.1010
Cl7	1.8002	2.8152	2.7834	4.1330	4.1043	4.6365		3.2830	2.8990	4.9969	4.9628	5.7375
Cl8	2.8152	1.8002	4.1330	2.7834	4.6365	4.1043	3.2830		4.9969	2.8990	5.7375	4.9628
H9	2.1818	3.4584	1.1012	3.9445	2.1947	3.4593	2.8990	4.9969		5.0456	2.5236	4.3715
H10	3.4584	2.1818	3.9445	1.1012	3.4593	2.1947	4.9969	2.8990	5.0456		4.3715	2.5236
H11	3.4497	3.9375	2.1794	3.4539	1.1010	2.1887	4.9628	5.7375	2.5236	4.3715		2.5252
H12	3.9375	3.4497	3.4539	2.1794	2.1887	1.1010	5.7375	4.9628	4.3715	2.5236	2.5252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.888	C1	C2	Cl8	121.032
C1	C3	C5	119.847	C1	C3	H9	119.218
C2	C1	C3	119.888	C2	C1	Cl7	121.032
C2	C4	C6	119.847	C2	C4	H10	119.218
C3	C1	Cl7	119.081	C3	C5	C6	120.265
C3	C5	H11	119.520	C4	C2	Cl8	119.081
C4	C6	C5	120.265	C4	C6	H12	119.520
C5	C3	H9	120.934	C5	C6	H12	120.215
C6	C4	H10	120.934	C6	C5	H11	120.215

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: MP2=FULL/STO-3G

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 (1,2-dichlorobenzene)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)