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	hartrees
Energy at 0K	-1149.874184
Energy at 298.15K	-1149.878066
HF Energy	-1148.587482
Nuclear repulsion energy	452.643786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3074	3.23
2	A₁	3245	3073	0.00
3	A₁	3221	3050	3.73
4	A₁	1630	1543	25.17
5	A₁	1453	1377	15.98
6	A₁	1167	1105	20.73
7	A₁	1109	1051	12.03
8	A₁	1007	953	5.43
9	A₁	678	642	1.34
10	A₁	409	388	1.92
11	A₁	199	188	0.18
12	A₂	832	788	0.00
13	A₂	502	476	0.00
14	A₂	199	188	0.00
15	B₁	874	827	0.26
16	B₁	806	763	2.94
17	B₁	740	701	83.86
18	B₁	423	400	5.62
19	B₁	401	380	0.20
20	B₁	166	157	0.39
21	B₂	3240	3069	0.64
22	B₂	1633	1547	76.26
23	B₂	1506	1426	68.08
24	B₂	1457	1380	2.17
25	B₂	1310	1240	2.48
26	B₂	1204	1140	0.77
27	B₂	1125	1066	23.84
28	B₂	814	771	72.49
29	B₂	437	414	1.91
30	B₂	370	350	0.51

Atom	y (Å)	z (Å)
C1	0.000	2.077
C2	1.215	1.389
C3	-1.215	1.389
C4	1.199	-0.006
C5	-1.199	-0.006
C6	0.000	-0.720
Cl7	2.696	-0.881
Cl8	-2.696	-0.881
H9	0.000	3.163
H10	2.161	1.921
H11	-2.161	1.921
H12	0.000	-1.804

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3961	1.3961	2.4036	2.4036	2.7965	4.0019	4.0019	1.0862	2.1664	2.1664	3.8811
C2	1.3961		2.4297	1.3955	2.7880	2.4336	2.7102	4.5217	2.1502	1.0849	3.4172	3.4165
C3	1.3961	2.4297		2.7880	1.3955	2.4336	4.5217	2.7102	2.1502	3.4172	1.0849	3.4165
C4	2.4036	1.3955	2.7880		2.3976	1.3949	1.7337	3.9917	3.3886	2.1536	3.8729	2.1609
C5	2.4036	2.7880	1.3955	2.3976		1.3949	3.9917	1.7337	3.3886	3.8729	2.1536	2.1609
C6	2.7965	2.4336	2.4336	1.3949	1.3949		2.7007	2.7007	3.8827	3.4115	3.4115	1.0846
Cl7	4.0019	2.7102	4.5217	1.7337	3.9917	2.7007		5.3919	4.8600	2.8517	5.6065	2.8497
Cl8	4.0019	4.5217	2.7102	3.9917	1.7337	2.7007	5.3919		4.8600	5.6065	2.8517	2.8497
H9	1.0862	2.1502	2.1502	3.3886	3.3886	3.8827	4.8600	4.8600		2.4926	2.4926	4.9673
H10	2.1664	1.0849	3.4172	2.1536	3.8729	3.4115	2.8517	5.6065	2.4926		4.3214	4.3060
H11	2.1664	3.4172	1.0849	3.8729	2.1536	3.4115	5.6065	2.8517	2.4926	4.3214		4.3060
H12	3.8811	3.4165	3.4165	2.1609	2.1609	1.0846	2.8497	2.8497	4.9673	4.3060	4.3060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.860	C1	C2	H10	121.152
C1	C3	C5	118.860	C1	C3	H11	121.152
C2	C1	C3	120.962	C2	C1	H9	119.519
C2	C4	C6	121.410	C2	C4	Cl7	119.623
C3	C1	H9	119.519	C3	C5	C6	121.410
C3	C5	Cl8	119.623	C4	C2	H10	119.988
C4	C6	C5	118.498	C4	C6	H12	120.751
C5	C3	H11	119.988	C5	C6	H12	120.751
C6	C4	Cl7	118.966	C6	C5	Cl8	118.966

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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