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	hartrees
Energy at 0K	-1150.116362
Energy at 298.15K	-1150.108754
HF Energy	-1148.493877
Nuclear repulsion energy	470.421369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3394	3394	6.91
2	A₁	3375	3375	11.69
3	A₁	1768	1768	3.91
4	A₁	1629	1629	70.00
5	A₁	1309	1309	0.90
6	A₁	1251	1251	40.25
7	A₁	1194	1194	1.66
8	A₁	1135	1135	7.34
9	A₁	721	721	18.12
10	A₁	516	516	8.10
11	A₁	218	218	0.00
12	A₂	1105	1105	0.00
13	A₂	973	973	0.00
14	A₂	783	783	0.00
15	A₂	568	568	0.00
16	A₂	151	151	0.00
17	B₁	1068	1068	2.20
18	B₁	847	847	64.93
19	B₁	492	492	4.53
20	B₁	258	258	0.60
21	B₂	3390	3390	6.93
22	B₂	3359	3359	1.91
23	B₂	1783	1783	6.46
24	B₂	1588	1588	23.74
25	B₂	1386	1386	3.91
26	B₂	1241	1241	4.13
27	B₂	1128	1128	41.11
28	B₂	804	804	20.15
29	B₂	461	461	0.86
30	B₂	364	364	0.22

Atom	y (Å)	z (Å)
C1	0.694	-0.029
C2	-0.694	-0.029
C3	1.384	1.176
C4	-1.384	1.176
C5	0.694	2.375
C6	-0.694	2.375
Cl7	1.609	-1.506
Cl8	-1.609	-1.506
H9	2.460	1.161
H10	-2.460	1.161
H11	1.239	3.304
H12	-1.239	3.304

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3886	1.3885	2.4026	2.4036	2.7756	1.7369	2.7359	2.1295	3.3716	3.3768	3.8529
C2	1.3886		2.4026	1.3885	2.7756	2.4036	2.7359	1.7369	3.3716	2.1295	3.8529	3.3768
C3	1.3885	2.4026		2.7687	1.3834	2.3990	2.6909	4.0187	1.0761	3.8447	2.1325	3.3780
C4	2.4026	1.3885	2.7687		2.3990	1.3834	4.0187	2.6909	3.8447	1.0761	3.3780	2.1325
C5	2.4036	2.7756	1.3834	2.3990		1.3873	3.9867	4.5120	2.1434	3.3795	1.0773	2.1446
C6	2.7756	2.4036	2.3990	1.3834	1.3873		4.5120	3.9867	3.3795	2.1434	2.1446	1.0773
Cl7	1.7369	2.7359	2.6909	4.0187	3.9867	4.5120		3.2179	2.7991	4.8651	4.8233	5.5893
Cl8	2.7359	1.7369	4.0187	2.6909	4.5120	3.9867	3.2179		4.8651	2.7991	5.5893	4.8233
H9	2.1295	3.3716	1.0761	3.8447	2.1434	3.3795	2.7991	4.8651		4.9206	2.4661	4.2753
H10	3.3716	2.1295	3.8447	1.0761	3.3795	2.1434	4.8651	2.7991	4.9206		4.2753	2.4661
H11	3.3768	3.8529	2.1325	3.3780	1.0773	2.1446	4.8233	5.5893	2.4661	4.2753		2.4787
H12	3.8529	3.3768	3.3780	2.1325	2.1446	1.0773	5.5893	4.8233	4.2753	2.4661	2.4787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.800	C1	C2	Cl8	121.775
C1	C3	C5	120.251	C1	C3	H9	119.001
C2	C1	C3	119.800	C2	C1	Cl7	121.775
C2	C4	C6	120.251	C2	C4	H10	119.001
C3	C1	Cl7	118.425	C3	C5	C6	119.950
C3	C5	H11	119.618	C4	C2	Cl8	118.425
C4	C6	C5	119.950	C4	C6	H12	119.618
C5	C3	H9	120.748	C5	C6	H12	120.432
C6	C4	H10	120.748	C6	C5	H11	120.432

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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