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	hartrees
Energy at 0K	-1137.896949
Energy at 298.15K	-1137.900733
HF Energy	-1137.765050
Nuclear repulsion energy	443.022437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3521	3521	9.69
2	A₁	3519	3519	32.08
3	A₁	3499	3499	1.37
4	A₁	1707	1707	23.09
5	A₁	1526	1526	14.11
6	A₁	1249	1249	19.57
7	A₁	1155	1155	0.80
8	A₁	1053	1053	3.77
9	A₁	706	706	1.44
10	A₁	414	414	2.47
11	A₁	188	188	2.08
12	A₂	975	975	0.00
13	A₂	542	542	0.00
14	A₂	215	215	0.00
15	B₁	1055	1055	0.18
16	B₁	941	941	8.74
17	B₁	835	835	28.35
18	B₁	721	721	3.14
19	B₁	452	452	0.39
20	B₁	171	171	0.93
21	B₂	3515	3515	26.93
22	B₂	1714	1714	52.21
23	B₂	1591	1591	62.58
24	B₂	1374	1374	3.28
25	B₂	1290	1290	0.18
26	B₂	1241	1241	0.01
27	B₂	1169	1169	28.62
28	B₂	856	856	44.96
29	B₂	442	442	2.18
30	B₂	353	353	0.13

Atom	y (Å)	z (Å)
C1	0.000	2.112
C2	1.226	1.416
C3	-1.226	1.416
C4	1.210	0.002
C5	-1.210	0.002
C6	0.000	-0.728
Cl7	2.771	-0.900
Cl8	-2.771	-0.900
H9	0.000	3.210
H10	2.182	1.954
H11	-2.182	1.954
H12	0.000	-1.825

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4103	1.4103	2.4323	2.4323	2.8404	4.0932	4.0932	1.0980	2.1878	2.1878	3.9376
C2	1.4103		2.4522	1.4135	2.8162	2.4695	2.7838	4.6195	2.1736	1.0972	3.4505	3.4650
C3	1.4103	2.4522		2.8162	1.4135	2.4695	4.6195	2.7838	2.1736	3.4505	1.0972	3.4650
C4	2.4323	1.4135	2.8162		2.4194	1.4130	1.8033	4.0816	3.4287	2.1806	3.9133	2.1915
C5	2.4323	2.8162	1.4135	2.4194		1.4130	4.0816	1.8033	3.4287	3.9133	2.1806	2.1915
C6	2.8404	2.4695	2.4695	1.4130	1.4130		2.7763	2.7763	3.9385	3.4576	3.4576	1.0971
Cl7	4.0932	2.7838	4.6195	1.8033	4.0816	2.7763		5.5418	4.9574	2.9144	5.7166	2.9212
Cl8	4.0932	4.6195	2.7838	4.0816	1.8033	2.7763	5.5418		4.9574	5.7166	2.9144	2.9212
H9	1.0980	2.1736	2.1736	3.4287	3.4287	3.9385	4.9574	4.9574		2.5180	2.5180	5.0356
H10	2.1878	1.0972	3.4505	2.1806	3.9133	3.4576	2.9144	5.7166	2.5180		4.3642	4.3639
H11	2.1878	3.4505	1.0972	3.9133	2.1806	3.4576	5.7166	2.9144	2.5180	4.3642		4.3639
H12	3.9376	3.4650	3.4650	2.1915	2.1915	1.0971	2.9212	2.9212	5.0356	4.3639	4.3639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.944	C1	C2	H10	121.004
C1	C3	C5	118.944	C1	C3	H11	121.004
C2	C1	C3	120.782	C2	C1	H9	119.609
C2	C4	C6	121.782	C2	C4	Cl7	119.366
C3	C1	H9	119.609	C3	C5	C6	121.782
C3	C5	Cl8	119.366	C4	C2	H10	120.051
C4	C6	C5	117.766	C4	C6	H12	121.117
C5	C3	H11	120.051	C5	C6	H12	121.117
C6	C4	Cl7	118.852	C6	C5	Cl8	118.852

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

using model chemistry: B2PLYP=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 (1,3-dichlorobenzene)

using model chemistry: B2PLYP=FULL/STO-3G

States and conformations

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