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	hartrees
Energy at 0K	-1149.612891
Energy at 298.15K	-1149.616845
HF Energy	-1148.494455
Nuclear repulsion energy	466.894388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3213	3083
2	A₁	3198	3068
3	A₁	1632	1565
4	A₁	1511	1450
5	A₁	1316	1262
6	A₁	1202	1153
7	A₁	1169	1121
8	A₁	1064	1021
9	A₁	671	644
10	A₁	483	464
11	A₁	204	195
12	A₂	884	848
13	A₂	822	788
14	A₂	514	493
15	A₂	485	465
16	A₂	134	129
17	B₁	881	845
18	B₁	744	713
19	B₁	427	410
20	B₁	230	221
21	B₂	3208	3078
22	B₂	3186	3056
23	B₂	1644	1577
24	B₂	1475	1415
25	B₂	1290	1237
26	B₂	1165	1117
27	B₂	1047	1004
28	B₂	755	724
29	B₂	431	413
30	B₂	339	325

Atom	y (Å)	z (Å)
C1	0.702	-0.032
C2	-0.702	-0.032
C3	1.399	1.185
C4	-1.399	1.185
C5	0.701	2.396
C6	-0.701	2.396
Cl7	1.612	-1.518
Cl8	-1.612	-1.518
H9	2.488	1.168
H10	-2.488	1.168
H11	1.253	3.336
H12	-1.253	3.336

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4044	1.4022	2.4280	2.4281	2.8042	1.7420	2.7500	2.1514	3.4084	3.4126	3.8942
C2	1.4044		2.4280	1.4022	2.8042	2.4281	2.7500	1.7420	3.4084	2.1514	3.8942	3.4126
C3	1.4022	2.4280		2.7977	1.3981	2.4237	2.7109	4.0458	1.0894	3.8869	2.1559	3.4144
C4	2.4280	1.4022	2.7977		2.4237	1.3981	4.0458	2.7109	3.8869	1.0894	3.4144	2.1559
C5	2.4281	2.8042	1.3981	2.4237		1.4011	4.0185	4.5459	2.1690	3.4171	1.0900	2.1677
C6	2.8042	2.4281	2.4237	1.3981	1.4011		4.5459	4.0185	3.4171	2.1690	2.1677	1.0900
Cl7	1.7420	2.7500	2.7109	4.0458	4.0185	4.5459		3.2239	2.8245	4.9011	4.8667	5.6359
Cl8	2.7500	1.7420	4.0458	2.7109	4.5459	4.0185	3.2239		4.9011	2.8245	5.6359	4.8667
H9	2.1514	3.4084	1.0894	3.8869	2.1690	3.4171	2.8245	4.9011		4.9761	2.4954	4.3239
H10	3.4084	2.1514	3.8869	1.0894	3.4171	2.1690	4.9011	2.8245	4.9761		4.3239	2.4954
H11	3.4126	3.8942	2.1559	3.4144	1.0900	2.1677	4.8667	5.6359	2.4954	4.3239		2.5057
H12	3.8942	3.4126	3.4144	2.1559	2.1677	1.0900	5.6359	4.8667	4.3239	2.4954	2.5057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.788	C1	C2	Cl8	121.483
C1	C3	C5	120.247	C1	C3	H9	118.878
C2	C1	C3	119.788	C2	C1	Cl7	121.483
C2	C4	C6	120.247	C2	C4	H10	118.878
C3	C1	Cl7	118.729	C3	C5	C6	119.964
C3	C5	H11	119.592	C4	C2	Cl8	118.729
C4	C6	C5	119.964	C4	C6	H12	119.592
C5	C3	H9	120.875	C5	C6	H12	120.444
C6	C4	H10	120.875	C6	C5	H11	120.444

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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