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	hartrees
Energy at 0K	-1143.505444
Energy at 298.15K	-1143.509612
HF Energy	-1142.836192
Nuclear repulsion energy	458.473409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3098	4.22
2	A₁	3176	3078	5.38
3	A₁	1592	1543	1.43
4	A₁	1515	1469	40.09
5	A₁	1258	1219	0.10
6	A₁	1180	1144	0.01
7	A₁	1149	1114	20.41
8	A₁	1042	1010	4.54
9	A₁	681	660	11.93
10	A₁	448	434	8.25
11	A₁	188	182	0.01
12	A₂	958	928	0.00
13	A₂	886	858	0.00
14	A₂	731	709	0.00
15	A₂	530	514	0.00
16	A₂	140	136	0.00
17	B₁	956	927	4.18
18	B₁	774	750	76.72
19	B₁	459	445	7.64
20	B₁	236	229	1.09
21	B₂	3191	3093	1.08
22	B₂	3161	3064	1.64
23	B₂	1595	1545	4.57
24	B₂	1485	1439	15.11
25	B₂	1317	1277	3.75
26	B₂	1153	1117	2.72
27	B₂	1073	1040	34.70
28	B₂	743	720	18.10
29	B₂	408	396	1.06
30	B₂	324	314	0.15

Atom	y (Å)	z (Å)
C1	0.696	0.008
C2	-0.696	0.008
C3	1.404	1.215
C4	-1.404	1.215
C5	0.704	2.433
C6	-0.704	2.433
Cl7	1.655	-1.559
Cl8	-1.655	-1.559
H9	2.491	1.192
H10	-2.491	1.192
H11	1.255	3.372
H12	-1.255	3.372

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3922	1.3998	2.4226	2.4255	2.8005	1.8365	2.8248	2.1508	3.4005	3.4105	3.8892
C2	1.3922		2.4226	1.3998	2.8005	2.4255	2.8248	1.8365	3.4005	2.1508	3.8892	3.4105
C3	1.3998	2.4226		2.8083	1.4050	2.4346	2.7852	4.1292	1.0876	3.8957	2.1620	3.4240
C4	2.4226	1.3998	2.8083		2.4346	1.4050	4.1292	2.7852	3.8957	1.0876	3.4240	2.1620
C5	2.4255	2.8005	1.4050	2.4346		1.4076	4.1036	4.6366	2.1763	3.4279	1.0888	2.1723
C6	2.8005	2.4255	2.4346	1.4050	1.4076		4.6366	4.1036	3.4279	2.1763	2.1723	1.0888
Cl7	1.8365	2.8248	2.7852	4.1292	4.1036	4.6366		3.3091	2.8753	4.9756	4.9470	5.7253
Cl8	2.8248	1.8365	4.1292	2.7852	4.6366	4.1036	3.3091		4.9756	2.8753	5.7253	4.9470
H9	2.1508	3.4005	1.0876	3.8957	2.1763	3.4279	2.8753	4.9756		4.9830	2.5062	4.3347
H10	3.4005	2.1508	3.8957	1.0876	3.4279	2.1763	4.9756	2.8753	4.9830		4.3347	2.5062
H11	3.4105	3.8892	2.1620	3.4240	1.0888	2.1723	4.9470	5.7253	2.5062	4.3347		2.5102
H12	3.8892	3.4105	3.4240	2.1620	2.1723	1.0888	5.7253	4.9470	4.3347	2.5062	2.5102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.388	C1	C2	Cl8	121.460
C1	C3	C5	119.713	C1	C3	H9	119.168
C2	C1	C3	120.388	C2	C1	Cl7	121.460
C2	C4	C6	119.713	C2	C4	H10	119.168
C3	C1	Cl7	118.152	C3	C5	C6	119.899
C3	C5	H11	119.679	C4	C2	Cl8	118.152
C4	C6	C5	119.899	C4	C6	H12	119.679
C5	C3	H9	121.119	C5	C6	H12	120.422
C6	C4	H10	121.119	C6	C5	H11	120.422

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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