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	hartrees
Energy at 0K	-1148.970083
Energy at 298.15K	-1148.973843
HF Energy	-1148.359135
Nuclear repulsion energy	438.382673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3112	10.29
2	A₁	3219	3108	0.42
3	A₁	3187	3076	4.61
4	A₁	1580	1525	28.96
5	A₁	1417	1368	6.36
6	A₁	1115	1076	3.87
7	A₁	1068	1031	26.96
8	A₁	1001	966	2.93
9	A₁	659	636	1.07
10	A₁	369	356	2.69
11	A₁	182	176	0.77
12	A₂	809	781	0.00
13	A₂	491	474	0.00
14	A₂	187	180	0.00
15	B₁	866	836	0.27
16	B₁	774	748	5.48
17	B₁	724	699	100.56
18	B₁	618	597	5.40
19	B₁	419	405	6.35
20	B₁	152	147	0.20
21	B₂	3212	3100	2.66
22	B₂	1576	1522	71.23
23	B₂	1469	1418	48.45
24	B₂	1357	1310	0.05
25	B₂	1312	1266	1.39
26	B₂	1205	1163	0.57
27	B₂	1088	1051	12.11
28	B₂	743	718	57.39
29	B₂	410	395	4.11
30	B₂	343	332	0.20

Atom	y (Å)	z (Å)
C1	0.000	2.133
C2	1.239	1.431
C3	-1.239	1.431
C4	1.214	0.011
C5	-1.214	0.011
C6	0.000	-0.726
Cl7	2.806	-0.915
Cl8	-2.806	-0.915
H9	0.000	3.227
H10	2.190	1.968
H11	-2.190	1.968
H12	0.000	-1.817

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4244	1.4244	2.4446	2.4446	2.8586	4.1427	4.1427	1.0937	2.1963	2.1963	3.9498
C2	1.4244		2.4788	1.4198	2.8348	2.4873	2.8207	4.6762	2.1819	1.0920	3.4713	3.4762
C3	1.4244	2.4788		2.8348	1.4198	2.4873	4.6762	2.8207	2.1819	3.4713	1.0920	3.4762
C4	2.4446	1.4198	2.8348		2.4286	1.4204	1.8414	4.1255	3.4370	2.1866	3.9267	2.1947
C5	2.4446	2.8348	1.4198	2.4286		1.4204	4.1255	1.8414	3.4370	3.9267	2.1866	2.1947
C6	2.8586	2.4873	2.4873	1.4204	1.4204		2.8123	2.8123	3.9522	3.4717	3.4717	1.0912
Cl7	4.1427	2.8207	4.6762	1.8414	4.1255	2.8123		5.6119	5.0024	2.9479	5.7681	2.9474
Cl8	4.1427	4.6762	2.8207	4.1255	1.8414	2.8123	5.6119		5.0024	5.7681	2.9479	2.9474
H9	1.0937	2.1819	2.1819	3.4370	3.4370	3.9522	5.0024	5.0024		2.5259	2.5259	5.0434
H10	2.1963	1.0920	3.4713	2.1866	3.9267	3.4717	2.9479	5.7681	2.5259		4.3802	4.3729
H11	2.1963	3.4713	1.0920	3.9267	2.1866	3.4717	5.7681	2.9479	2.5259	4.3802		4.3729
H12	3.9498	3.4762	3.4762	2.1947	2.1947	1.0912	2.9474	2.9474	5.0434	4.3729	4.3729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.516	C1	C2	H10	121.001
C1	C3	C5	118.516	C1	C3	H11	121.001
C2	C1	C3	120.942	C2	C1	H9	119.529
C2	C4	C6	122.265	C2	C4	Cl7	119.179
C3	C1	H9	119.529	C3	C5	C6	122.265
C3	C5	Cl8	119.179	C4	C2	H10	120.483
C4	C6	C5	117.496	C4	C6	H12	121.252
C5	C3	H11	120.483	C5	C6	H12	121.252
C6	C4	Cl7	118.556	C6	C5	Cl8	118.556

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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