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	hartrees
Energy at 0K	-1149.020343
Energy at 298.15K	-1149.024395
HF Energy	-1148.365530
Nuclear repulsion energy	457.631278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3069	8.62
2	A₁	3178	3049	9.69
3	A₁	1629	1563	2.19
4	A₁	1519	1458	37.42
5	A₁	1275	1223	0.11
6	A₁	1214	1165	0.03
7	A₁	1160	1113	17.36
8	A₁	1060	1017	5.83
9	A₁	674	647	11.89
10	A₁	455	437	6.83
11	A₁	194	187	0.01
12	A₂	889	853	0.00
13	A₂	848	814	0.00
14	A₂	641	615	0.00
15	A₂	504	484	0.00
16	A₂	134	129	0.00
17	B₁	905	869	3.39
18	B₁	757	726	72.84
19	B₁	447	428	5.89
20	B₁	230	221	0.75
21	B₂	3193	3064	6.23
22	B₂	3163	3035	2.23
23	B₂	1634	1568	5.51
24	B₂	1486	1425	13.85
25	B₂	1314	1261	2.10
26	B₂	1167	1119	1.60
27	B₂	1060	1017	35.28
28	B₂	744	714	15.05
29	B₂	415	398	0.67
30	B₂	329	316	0.12

Atom	y (Å)	z (Å)
C1	0.701	-0.002
C2	-0.701	-0.002
C3	1.407	1.215
C4	-1.407	1.215
C5	0.706	2.436
C6	-0.706	2.436
Cl7	1.662	-1.557
Cl8	-1.662	-1.557
H9	2.498	1.197
H10	-2.498	1.197
H11	1.260	3.378
H12	-1.260	3.378

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4021	1.4072	2.4344	2.4385	2.8151	1.8282	2.8290	2.1602	3.4165	3.4257	3.9074
C2	1.4021		2.4344	1.4072	2.8151	2.4385	2.8290	1.8282	3.4165	2.1602	3.9074	3.4257
C3	1.4072	2.4344		2.8145	1.4086	2.4404	2.7840	4.1361	1.0911	3.9056	2.1678	3.4336
C4	2.4344	1.4072	2.8145		2.4404	1.4086	4.1361	2.7840	3.9056	1.0911	3.4336	2.1678
C5	2.4385	2.8151	1.4086	2.4404		1.4111	4.1066	4.6428	2.1797	3.4353	1.0923	2.1790
C6	2.8151	2.4385	2.4404	1.4086	1.4111		4.6428	4.1066	3.4353	2.1797	2.1790	1.0923
Cl7	1.8282	2.8290	2.7840	4.1361	4.1066	4.6428		3.3244	2.8778	4.9892	4.9514	5.7351
Cl8	2.8290	1.8282	4.1361	2.7840	4.6428	4.1066	3.3244		4.9892	2.8778	5.7351	4.9514
H9	2.1602	3.4165	1.0911	3.9056	2.1797	3.4353	2.8778	4.9892		4.9965	2.5084	4.3450
H10	3.4165	2.1602	3.9056	1.0911	3.4353	2.1797	4.9892	2.8778	4.9965		4.3450	2.5084
H11	3.4257	3.9074	2.1678	3.4336	1.0923	2.1790	4.9514	5.7351	2.5084	4.3450		2.5191
H12	3.9074	3.4257	3.4336	2.1678	2.1790	1.0923	5.7351	4.9514	4.3450	2.5084	2.5191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.123	C1	C2	Cl8	121.719
C1	C3	C5	119.997	C1	C3	H9	119.150
C2	C1	C3	120.123	C2	C1	Cl7	121.719
C2	C4	C6	119.997	C2	C4	H10	119.150
C3	C1	Cl7	118.158	C3	C5	C6	119.880
C3	C5	H11	119.643	C4	C2	Cl8	118.158
C4	C6	C5	119.880	C4	C6	H12	119.643
C5	C3	H9	120.853	C5	C6	H12	120.478
C6	C4	H10	120.853	C6	C5	H11	120.478

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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