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	hartrees
Energy at 0K	-1149.784867
Energy at 298.15K	-1149.789060
HF Energy	-1148.530844
Nuclear repulsion energy	453.456343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3088	2.78
2	A₁	3269	3087	0.00
3	A₁	3242	3062	2.30
4	A₁	1619	1529	20.18
5	A₁	1442	1362	17.10
6	A₁	1158	1094	18.58
7	A₁	1103	1042	11.02
8	A₁	1004	949	5.40
9	A₁	670	633	1.52
10	A₁	407	384	2.19
11	A₁	199	188	0.49
12	A₂	897	847	0.00
13	A₂	543	513	0.00
14	A₂	204	193	0.00
15	B₁	955	902	0.18
16	B₁	876	827	10.87
17	B₁	792	748	41.60
18	B₁	665	628	5.53
19	B₁	439	414	2.70
20	B₁	169	160	0.01
21	B₂	3264	3083	0.10
22	B₂	1617	1527	60.31
23	B₂	1491	1408	66.29
24	B₂	1464	1383	3.27
25	B₂	1296	1224	4.47
26	B₂	1193	1127	0.22
27	B₂	1114	1053	22.82
28	B₂	807	762	71.27
29	B₂	431	408	1.97
30	B₂	370	349	0.17

Atom	y (Å)	z (Å)
C1	0.000	2.073
C2	1.213	1.386
C3	-1.213	1.386
C4	1.194	-0.006
C5	-1.194	-0.006
C6	0.000	-0.723
Cl7	2.691	-0.878
Cl8	-2.691	-0.878
H9	0.000	3.156
H10	2.158	1.914
H11	-2.158	1.914
H12	0.000	-1.805

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3933	1.3933	2.3972	2.3972	2.7960	3.9934	3.9934	1.0837	2.1633	2.1633	3.8779
C2	1.3933		2.4252	1.3928	2.7802	2.4334	2.7042	4.5129	2.1455	1.0823	3.4112	3.4143
C3	1.3933	2.4252		2.7802	1.3928	2.4334	4.5129	2.7042	2.1455	3.4112	1.0823	3.4143
C4	2.3972	1.3928	2.7802		2.3873	1.3925	1.7327	3.9815	3.3804	2.1486	3.8624	2.1590
C5	2.3972	2.7802	1.3928	2.3873		1.3925	3.9815	1.7327	3.3804	3.8624	2.1486	2.1590
C6	2.7960	2.4334	2.4334	1.3925	1.3925		2.6958	2.6958	3.8797	3.4075	3.4075	1.0819
Cl7	3.9934	2.7042	4.5129	1.7327	3.9815	2.6958		5.3827	4.8494	2.8423	5.5951	2.8467
Cl8	3.9934	4.5129	2.7042	3.9815	1.7327	2.6958	5.3827		4.8494	5.5951	2.8423	2.8467
H9	1.0837	2.1455	2.1455	3.3804	3.3804	3.8797	4.8494	4.8494		2.4896	2.4896	4.9616
H10	2.1633	1.0823	3.4112	2.1486	3.8624	3.4075	2.8423	5.5951	2.4896		4.3150	4.2998
H11	2.1633	3.4112	1.0823	3.8624	2.1486	3.4075	5.5951	2.8423	2.4896	4.3150		4.2998
H12	3.8779	3.4143	3.4143	2.1590	2.1590	1.0819	2.8467	2.8467	4.9616	4.2998	4.2998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.728	C1	C2	H10	121.314
C1	C3	C5	118.728	C1	C3	H11	121.314
C2	C1	C3	120.988	C2	C1	H9	119.506
C2	C4	C6	121.775	C2	C4	Cl7	119.414
C3	C1	H9	119.506	C3	C5	C6	121.775
C3	C5	Cl8	119.414	C4	C2	H10	119.958
C4	C6	C5	118.008	C4	C6	H12	120.996
C5	C3	H11	119.958	C5	C6	H12	120.996
C6	C4	Cl7	118.812	C6	C5	Cl8	118.812

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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