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	hartrees
Energy at 0K	-1148.980962
Energy at 298.15K	-1148.984937
HF Energy	-1148.365423
Nuclear repulsion energy	457.481392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3229	3090	9.30
2	A₁	3210	3071	6.82
3	A₁	1608	1538	2.43
4	A₁	1506	1441	41.97
5	A₁	1376	1317	0.01
6	A₁	1231	1178	0.08
7	A₁	1154	1104	22.23
8	A₁	1054	1009	6.98
9	A₁	671	642	12.73
10	A₁	453	434	8.03
11	A₁	194	185	0.00
12	A₂	867	830	0.00
13	A₂	831	795	0.00
14	A₂	580	555	0.00
15	A₂	493	472	0.00
16	A₂	133	127	0.00
17	B₁	879	841	2.76
18	B₁	751	719	78.19
19	B₁	442	423	5.68
20	B₁	227	218	0.93
21	B₂	3222	3083	4.51
22	B₂	3196	3058	1.86
23	B₂	1609	1539	6.58
24	B₂	1478	1414	14.97
25	B₂	1313	1256	2.66
26	B₂	1164	1114	1.99
27	B₂	1052	1007	38.57
28	B₂	741	709	17.52
29	B₂	415	397	0.74
30	B₂	329	315	0.23

Atom	y (Å)	z (Å)
C1	0.702	-0.002
C2	-0.702	-0.002
C3	1.409	1.216
C4	-1.409	1.216
C5	0.706	2.438
C6	-0.706	2.438
Cl7	1.662	-1.558
Cl8	-1.662	-1.558
H9	2.497	1.197
H10	-2.497	1.197
H11	1.259	3.377
H12	-1.259	3.377

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4046	1.4083	2.4372	2.4406	2.8177	1.8276	2.8300	2.1592	3.4173	3.4251	3.9075
C2	1.4046		2.4372	1.4083	2.8177	2.4406	2.8300	1.8276	3.4173	2.1592	3.9075	3.4251
C3	1.4083	2.4372		2.8171	1.4098	2.4423	2.7854	4.1378	1.0890	3.9060	2.1663	3.4333
C4	2.4372	1.4083	2.8171		2.4423	1.4098	4.1378	2.7854	3.9060	1.0890	3.4333	2.1663
C5	2.4406	2.8177	1.4098	2.4423		1.4119	4.1088	4.6449	2.1791	3.4352	1.0898	2.1780
C6	2.8177	2.4406	2.4423	1.4098	1.4119		4.6449	4.1088	3.4352	2.1791	2.1780	1.0898
Cl7	1.8276	2.8300	2.7854	4.1378	4.1088	4.6449		3.3237	2.8792	4.9891	4.9514	5.7347
Cl8	2.8300	1.8276	4.1378	2.7854	4.6449	4.1088	3.3237		4.9891	2.8792	5.7347	4.9514
H9	2.1592	3.4173	1.0890	3.9060	2.1791	3.4352	2.8792	4.9891		4.9948	2.5068	4.3432
H10	3.4173	2.1592	3.9060	1.0890	3.4352	2.1791	4.9891	2.8792	4.9948		4.3432	2.5068
H11	3.4251	3.9075	2.1663	3.4333	1.0898	2.1780	4.9514	5.7347	2.5068	4.3432		2.5185
H12	3.9075	3.4251	3.4333	2.1663	2.1780	1.0898	5.7347	4.9514	4.3432	2.5068	2.5185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.100	C1	C2	Cl8	121.670
C1	C3	C5	120.007	C1	C3	H9	119.128
C2	C1	C3	120.100	C2	C1	Cl7	121.670
C2	C4	C6	120.007	C2	C4	H10	119.128
C3	C1	Cl7	118.229	C3	C5	C6	119.893
C3	C5	H11	119.599	C4	C2	Cl8	118.229
C4	C6	C5	119.893	C4	C6	H12	119.599
C5	C3	H9	120.866	C5	C6	H12	120.509
C6	C4	H10	120.866	C6	C5	H11	120.509

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

using model chemistry: MP2/6-31G

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 (1,2-dichlorobenzene)

using model chemistry: MP2/6-31G

States and conformations

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