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	hartrees
Energy at 0K	-1151.516091
Energy at 298.15K	-1151.520346
HF Energy	-1151.516091
Nuclear repulsion energy	471.270460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3105	6.26
2	A₁	3224	3090	9.03
3	A₁	1646	1578	4.69
4	A₁	1512	1449	68.59
5	A₁	1345	1290	1.24
6	A₁	1190	1141	2.29
7	A₁	1169	1120	49.17
8	A₁	1074	1029	7.69
9	A₁	672	644	18.13
10	A₁	488	468	6.64
11	A₁	217	208	0.05
12	A₂	991	950	0.00
13	A₂	867	831	0.00
14	A₂	709	680	0.00
15	A₂	522	500	0.00
16	A₂	137	131	0.00
17	B₁	952	913	1.56
18	B₁	762	730	70.55
19	B₁	449	430	8.10
20	B₁	236	226	2.08
21	B₂	3235	3101	6.62
22	B₂	3210	3077	1.36
23	B₂	1657	1588	8.90
24	B₂	1477	1416	21.54
25	B₂	1286	1233	2.92
26	B₂	1162	1114	1.96
27	B₂	1046	1002	42.20
28	B₂	754	723	20.51
29	B₂	435	417	0.24
30	B₂	340	326	0.44

Atom	y (Å)	z (Å)
C1	0.696	-0.029
C2	-0.696	-0.029
C3	1.384	1.175
C4	-1.384	1.175
C5	0.693	2.374
C6	-0.693	2.374
Cl7	1.595	-1.505
Cl8	-1.595	-1.505
H9	2.466	1.158
H10	-2.466	1.158
H11	1.242	3.307
H12	-1.242	3.307

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3919	1.3874	2.4038	2.4033	2.7760	1.7283	2.7254	2.1306	3.3769	3.3805	3.8582
C2	1.3919		2.4038	1.3874	2.7760	2.4033	2.7254	1.7283	3.3769	2.1306	3.8582	3.3805
C3	1.3874	2.4038		2.7685	1.3835	2.3986	2.6888	4.0078	1.0814	3.8498	2.1361	3.3825
C4	2.4038	1.3874	2.7685		2.3986	1.3835	4.0078	2.6888	3.8498	1.0814	3.3825	2.1361
C5	2.4033	2.7760	1.3835	2.3986		1.3867	3.9826	4.5039	2.1496	3.3850	1.0822	2.1486
C6	2.7760	2.4033	2.3986	1.3835	1.3867		4.5039	3.9826	3.3850	2.1496	2.1486	1.0822
Cl7	1.7283	2.7254	2.6888	4.0078	3.9826	4.5039		3.1904	2.8012	4.8558	4.8249	5.5862
Cl8	2.7254	1.7283	4.0078	2.6888	4.5039	3.9826	3.1904		4.8558	2.8012	5.5862	4.8249
H9	2.1306	3.3769	1.0814	3.8498	2.1496	3.3850	2.8012	4.8558		4.9310	2.4731	4.2856
H10	3.3769	2.1306	3.8498	1.0814	3.3850	2.1496	4.8558	2.8012	4.9310		4.2856	2.4731
H11	3.3805	3.8582	2.1361	3.3825	1.0822	2.1486	4.8249	5.5862	2.4731	4.2856		2.4843
H12	3.8582	3.3805	3.3825	2.1361	2.1486	1.0822	5.5862	4.8249	4.2856	2.4731	2.4843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.743	C1	C2	Cl8	121.353
C1	C3	C5	120.298	C1	C3	H9	118.793
C2	C1	C3	119.743	C2	C1	Cl7	121.353
C2	C4	C6	120.298	C2	C4	H10	118.793
C3	C1	Cl7	118.904	C3	C5	C6	119.959
C3	C5	H11	119.569	C4	C2	Cl8	118.904
C4	C6	C5	119.959	C4	C6	H12	119.569
C5	C3	H9	120.909	C5	C6	H12	120.472
C6	C4	H10	120.909	C6	C5	H11	120.472

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

using model chemistry: B1B95/6-311G*

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	-0.115
2	C	-0.115
3	C	-0.123
4	C	-0.123
5	C	-0.198
6	C	-0.198
7	Cl	-0.023
8	Cl	-0.023
9	H	0.242
10	H	0.242
11	H	0.217
12	H	0.217

<r²>	358.187
(<r²>)^1/2	18.926

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

using model chemistry: B1B95/6-311G*

States and conformations

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