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	hartrees
Energy at 0K	-1149.325322
Energy at 298.15K	-1149.329775
HF Energy	-1148.496799
Nuclear repulsion energy	471.400137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3358	3102	5.41
2	A₁	3342	3087	6.67
3	A₁	1739	1606	3.71
4	A₁	1600	1478	67.16
5	A₁	1324	1223	1.00
6	A₁	1245	1150	13.84
7	A₁	1232	1138	21.62
8	A₁	1125	1039	6.20
9	A₁	710	656	15.84
10	A₁	512	473	6.05
11	A₁	216	199	0.00
12	A₂	1012	935	0.00
13	A₂	918	848	0.00
14	A₂	681	629	0.00
15	A₂	542	500	0.00
16	A₂	146	135	0.00
17	B₁	1002	926	2.04
18	B₁	816	753	68.96
19	B₁	472	436	4.51
20	B₁	251	232	0.77
21	B₂	3353	3098	3.72
22	B₂	3329	3075	1.22
23	B₂	1754	1620	6.21
24	B₂	1559	1440	22.76
25	B₂	1361	1257	3.07
26	B₂	1226	1133	2.93
27	B₂	1107	1022	37.46
28	B₂	796	736	15.62
29	B₂	456	421	0.42
30	B₂	359	332	0.14

Atom	y (Å)	z (Å)
C1	0.694	-0.031
C2	-0.694	-0.031
C3	1.383	1.173
C4	-1.383	1.173
C5	0.693	2.371
C6	-0.693	2.371
Cl7	1.601	-1.502
Cl8	-1.601	-1.502
H9	2.460	1.158
H10	-2.460	1.158
H11	1.239	3.301
H12	-1.239	3.301

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3885	1.3871	2.4007	2.4022	2.7740	1.7286	2.7266	2.1287	3.3709	3.3763	3.8524
C2	1.3885		2.4007	1.3871	2.7740	2.4022	2.7266	1.7286	3.3709	2.1287	3.8524	3.3763
C3	1.3871	2.4007		2.7651	1.3823	2.3964	2.6848	4.0078	1.0776	3.8426	2.1325	3.3766
C4	2.4007	1.3871	2.7651		2.3964	1.3823	4.0078	2.6848	3.8426	1.0776	3.3766	2.1325
C5	2.4022	2.7740	1.3823	2.3964		1.3858	3.9789	4.5021	2.1436	3.3784	1.0785	2.1443
C6	2.7740	2.4022	2.3964	1.3823	1.3858		4.5021	3.9789	3.3784	2.1436	2.1443	1.0785
Cl7	1.7286	2.7266	2.6848	4.0078	3.9789	4.5021		3.2021	2.7957	4.8550	4.8172	5.5806
Cl8	2.7266	1.7286	4.0078	2.6848	4.5021	3.9789	3.2021		4.8550	2.7957	5.5806	4.8172
H9	2.1287	3.3709	1.0776	3.8426	2.1436	3.3784	2.7957	4.8550		4.9201	2.4664	4.2754
H10	3.3709	2.1287	3.8426	1.0776	3.3784	2.1436	4.8550	2.7957	4.9201		4.2754	2.4664
H11	3.3763	3.8524	2.1325	3.3766	1.0785	2.1443	4.8172	5.5806	2.4664	4.2754		2.4788
H12	3.8524	3.3763	3.3766	2.1325	2.1443	1.0785	5.5806	4.8172	4.2754	2.4664	2.4788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.749	C1	C2	Cl8	121.641
C1	C3	C5	120.322	C1	C3	H9	118.930
C2	C1	C3	119.749	C2	C1	Cl7	121.641
C2	C4	C6	120.322	C2	C4	H10	118.930
C3	C1	Cl7	118.609	C3	C5	C6	119.928
C3	C5	H11	119.627	C4	C2	Cl8	118.609
C4	C6	C5	119.928	C4	C6	H12	119.627
C5	C3	H9	120.748	C5	C6	H12	120.444
C6	C4	H10	120.748	C6	C5	H11	120.444

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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