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	hartrees
Energy at 0K	-1149.646645
Energy at 298.15K	-1149.650860
HF Energy	-1148.554120
Nuclear repulsion energy	466.097333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3112	5.05
2	A₁	3236	3096	5.26
3	A₁	1655	1584	4.03
4	A₁	1518	1452	56.25
5	A₁	1299	1242	1.58
6	A₁	1185	1133	26.70
7	A₁	1174	1123	6.73
8	A₁	1071	1024	5.27
9	A₁	675	646	13.12
10	A₁	489	468	4.83
11	A₁	202	193	0.00
12	A₂	973	931	0.00
13	A₂	873	835	0.00
14	A₂	635	607	0.00
15	A₂	511	489	0.00
16	A₂	138	132	0.00
17	B₁	957	915	1.18
18	B₁	771	738	55.05
19	B₁	443	424	4.48
20	B₁	237	226	0.97
21	B₂	3247	3107	3.54
22	B₂	3222	3083	0.93
23	B₂	1670	1598	6.40
24	B₂	1479	1415	16.48
25	B₂	1284	1228	2.85
26	B₂	1161	1111	1.96
27	B₂	1058	1012	31.51
28	B₂	760	727	13.37
29	B₂	433	414	0.35
30	B₂	340	325	0.06

Atom	y (Å)	z (Å)
C1	0.704	-0.034
C2	-0.704	-0.034
C3	1.401	1.186
C4	-1.401	1.186
C5	0.702	2.400
C6	-0.702	2.400
Cl7	1.615	-1.519
Cl8	-1.615	-1.519
H9	2.494	1.169
H10	-2.494	1.169
H11	1.257	3.344
H12	-1.257	3.344

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4073	1.4049	2.4322	2.4341	2.8107	1.7432	2.7541	2.1568	3.4164	3.4226	3.9054
C2	1.4073		2.4322	1.4049	2.8107	2.4341	2.7541	1.7432	3.4164	2.1568	3.9054	3.4226
C3	1.4049	2.4322		2.8011	1.4008	2.4279	2.7142	4.0516	1.0938	3.8948	2.1625	3.4233
C4	2.4322	1.4049	2.8011		2.4279	1.4008	4.0516	2.7142	3.8948	1.0938	3.4233	2.1625
C5	2.4341	2.8107	1.4008	2.4279		1.4038	4.0249	4.5535	2.1747	3.4252	1.0947	2.1744
C6	2.8107	2.4341	2.4279	1.4008	1.4038		4.5535	4.0249	3.4252	2.1747	2.1744	1.0947
Cl7	1.7432	2.7541	2.7142	4.0516	4.0249	4.5535		3.2305	2.8282	4.9106	4.8765	5.6483
Cl8	2.7541	1.7432	4.0516	2.7142	4.5535	4.0249	3.2305		4.9106	2.8282	5.6483	4.8765
H9	2.1568	3.4164	1.0938	3.8948	2.1747	3.4252	2.8282	4.9106		4.9884	2.5023	4.3363
H10	3.4164	2.1568	3.8948	1.0938	3.4252	2.1747	4.9106	2.8282	4.9884		4.3363	2.5023
H11	3.4226	3.9054	2.1625	3.4233	1.0947	2.1744	4.8765	5.6483	2.5023	4.3363		2.5142
H12	3.9054	3.4226	3.4233	2.1625	2.1744	1.0947	5.6483	4.8765	4.3363	2.5023	2.5142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.739	C1	C2	Cl8	121.530
C1	C3	C5	120.346	C1	C3	H9	118.823
C2	C1	C3	119.739	C2	C1	Cl7	121.530
C2	C4	C6	120.346	C2	C4	H10	118.823
C3	C1	Cl7	118.731	C3	C5	C6	119.915
C3	C5	H11	119.611	C4	C2	Cl8	118.731
C4	C6	C5	119.915	C4	C6	H12	119.611
C5	C3	H9	120.831	C5	C6	H12	120.474
C6	C4	H10	120.831	C6	C5	H11	120.474

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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