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	hartrees
Energy at 0K	-1150.847740
Energy at 298.15K	-1150.851788
HF Energy	-1150.847740
Nuclear repulsion energy	466.902821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3115	3.67
2	A₁	3128	3100	6.47
3	A₁	1570	1556	4.75
4	A₁	1443	1429	66.24
5	A₁	1328	1316	1.55
6	A₁	1149	1139	1.45
7	A₁	1114	1104	54.71
8	A₁	1034	1025	9.40
9	A₁	651	645	17.25
10	A₁	469	465	7.90
11	A₁	199	197	0.06
12	A₂	949	941	0.00
13	A₂	826	819	0.00
14	A₂	681	675	0.00
15	A₂	504	500	0.00
16	A₂	130	129	0.00
17	B₁	912	904	1.23
18	B₁	731	724	63.57
19	B₁	433	429	8.04
20	B₁	227	225	2.00
21	B₂	3139	3110	3.03
22	B₂	3116	3087	1.18
23	B₂	1575	1561	9.92
24	B₂	1417	1404	20.82
25	B₂	1234	1223	3.13
26	B₂	1120	1109	1.29
27	B₂	1005	996	42.64
28	B₂	728	721	22.88
29	B₂	420	416	0.37
30	B₂	330	327	0.62

Atom	y (Å)	z (Å)
C1	0.703	-0.028
C2	-0.703	-0.028
C3	1.398	1.187
C4	-1.398	1.187
C5	0.699	2.396
C6	-0.699	2.396
Cl7	1.609	-1.520
Cl8	-1.609	-1.520
H9	2.488	1.168
H10	-2.488	1.168
H11	1.253	3.337
H12	-1.253	3.337

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4059	1.4001	2.4270	2.4246	2.8009	1.7452	2.7515	2.1493	3.4082	3.4099	3.8925
C2	1.4059		2.4270	1.4001	2.8009	2.4246	2.7515	1.7452	3.4082	2.1493	3.8925	3.4099
C3	1.4001	2.4270		2.7952	1.3961	2.4206	2.7153	4.0459	1.0908	3.8859	2.1544	3.4129
C4	2.4270	1.4001	2.7952		2.4206	1.3961	4.0459	2.7153	3.8859	1.0908	3.4129	2.1544
C5	2.4246	2.8009	1.3961	2.4206		1.3988	4.0203	4.5459	2.1696	3.4159	1.0916	2.1675
C6	2.8009	2.4246	2.4206	1.3961	1.3988		4.5459	4.0203	3.4159	2.1696	2.1675	1.0916
Cl7	1.7452	2.7515	2.7153	4.0459	4.0203	4.5459		3.2186	2.8282	4.9006	4.8696	5.6375
Cl8	2.7515	1.7452	4.0459	2.7153	4.5459	4.0203	3.2186		4.9006	2.8282	5.6375	4.8696
H9	2.1493	3.4082	1.0908	3.8859	2.1696	3.4159	2.8282	4.9006		4.9765	2.4954	4.3245
H10	3.4082	2.1493	3.8859	1.0908	3.4159	2.1696	4.9006	2.8282	4.9765		4.3245	2.4954
H11	3.4099	3.8925	2.1544	3.4129	1.0916	2.1675	4.8696	5.6375	2.4954	4.3245		2.5066
H12	3.8925	3.4099	3.4129	2.1544	2.1675	1.0916	5.6375	4.8696	4.3245	2.4954	2.5066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.746	C1	C2	Cl8	121.289
C1	C3	C5	120.247	C1	C3	H9	118.758
C2	C1	C3	119.746	C2	C1	Cl7	121.289
C2	C4	C6	120.247	C2	C4	H10	118.758
C3	C1	Cl7	118.966	C3	C5	C6	120.008
C3	C5	H11	119.501	C4	C2	Cl8	118.966
C4	C6	C5	120.008	C4	C6	H12	119.501
C5	C3	H9	120.996	C5	C6	H12	120.491
C6	C4	H10	120.996	C6	C5	H11	120.491

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

using model chemistry: PBEPBE/6-311G**

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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Number	Element	Mulliken
1	C	-0.150
2	C	-0.150
3	C	0.021
4	C	0.021
5	C	-0.088
6	C	-0.088
7	Cl	-0.016
8	Cl	-0.016
9	H	0.125
10	H	0.125
11	H	0.108
12	H	0.108

<r²>	364.484
(<r²>)^1/2	19.091

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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