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	hartrees
Energy at 0K	-1149.614389
Energy at 298.15K
HF Energy	-1148.509196
Nuclear repulsion energy	467.951147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3100	7.17
2	A₁	3264	3086	6.23
3	A₁	1657	1567	4.89
4	A₁	1533	1450	52.80
5	A₁	1292	1221	1.40
6	A₁	1202	1136	2.15
7	A₁	1183	1118	35.00
8	A₁	1076	1017	7.91
9	A₁	680	643	13.21
10	A₁	490	463	5.16
11	A₁	205	194	0.01
12	A₂	912	862	0.00
13	A₂	839	793	0.00
14	A₂	453	428	0.00
15	A₂	125	118	0.00
16	A₂	721i	682i	0.00
17	B₁	915	865	0.94
18	B₁	758	716	76.68
19	B₁	409	386	4.26
20	B₁	221	209	1.62
21	B₂	3274	3095	5.73
22	B₂	3252	3074	1.01
23	B₂	1672	1581	8.96
24	B₂	1495	1414	16.65
25	B₂	1306	1235	3.48
26	B₂	1176	1112	2.45
27	B₂	1062	1004	34.95
28	B₂	763	722	13.68
29	B₂	433	410	0.35
30	B₂	341	322	0.18

Atom	y (Å)	z (Å)
C1	0.700	-0.033
C2	-0.700	-0.033
C3	1.395	1.182
C4	-1.395	1.182
C5	0.699	2.391
C6	-0.699	2.391
Cl7	1.611	-1.514
Cl8	-1.611	-1.514
H9	2.476	1.166
H10	-2.476	1.166
H11	1.248	3.324
H12	-1.248	3.324

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4005	1.3995	2.4217	2.4238	2.7988	1.7385	2.7448	2.1429	3.3953	3.4011	3.8811
C2	1.4005		2.4217	1.3995	2.7988	2.4238	2.7448	1.7385	3.3953	2.1429	3.8811	3.4011
C3	1.3995	2.4217		2.7893	1.3946	2.4178	2.7046	4.0374	1.0817	3.8709	2.1467	3.4015
C4	2.4217	1.3995	2.7893		2.4178	1.3946	4.0374	2.7046	3.8709	1.0817	3.4015	2.1467
C5	2.4238	2.7988	1.3946	2.4178		1.3985	4.0097	4.5369	2.1581	3.4034	1.0823	2.1592
C6	2.7988	2.4238	2.4178	1.3946	1.3985		4.5369	4.0097	3.4034	2.1581	2.1592	1.0823
Cl7	1.7385	2.7448	2.7046	4.0374	4.0097	4.5369		3.2216	2.8164	4.8874	4.8512	5.6192
Cl8	2.7448	1.7385	4.0374	2.7046	4.5369	4.0097	3.2216		4.8874	2.8164	5.6192	4.8512
H9	2.1429	3.3953	1.0817	3.8709	2.1581	3.4034	2.8164	4.8874		4.9524	2.4826	4.3040
H10	3.3953	2.1429	3.8709	1.0817	3.4034	2.1581	4.8874	2.8164	4.9524		4.3040	2.4826
H11	3.4011	3.8811	2.1467	3.4015	1.0823	2.1592	4.8512	5.6192	2.4826	4.3040		2.4960
H12	3.8811	3.4011	3.4015	2.1467	2.1592	1.0823	5.6192	4.8512	4.3040	2.4826	2.4960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.750	C1	C2	Cl8	121.585
C1	C3	C5	120.339	C1	C3	H9	118.912
C2	C1	C3	119.750	C2	C1	Cl7	121.585
C2	C4	C6	120.339	C2	C4	H10	118.912
C3	C1	Cl7	118.665	C3	C5	C6	119.911
C3	C5	H11	119.624	C4	C2	Cl8	118.665
C4	C6	C5	119.911	C4	C6	H12	119.624
C5	C3	H9	120.749	C5	C6	H12	120.465
C6	C4	H10	120.749	C6	C5	H11	120.465

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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