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	hartrees
Energy at 0K	-1148.591718
Energy at 298.15K	-1148.596402
HF Energy	-1148.591718
Nuclear repulsion energy	471.163552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3370	3062	5.81
2	A₁	3351	3045	10.13
3	A₁	1755	1595	4.50
4	A₁	1622	1474	70.99
5	A₁	1305	1186	1.27
6	A₁	1243	1129	43.71
7	A₁	1178	1070	1.33
8	A₁	1127	1024	7.95
9	A₁	720	655	18.12
10	A₁	515	468	7.97
11	A₁	220	200	0.02
12	A₂	1115	1013	0.00
13	A₂	975	886	0.00
14	A₂	784	712	0.00
15	A₂	570	518	0.00
16	A₂	150	136	0.00
17	B₁	1079	980	2.01
18	B₁	847	770	74.48
19	B₁	494	449	8.52
20	B₁	257	234	1.68
21	B₂	3366	3058	5.56
22	B₂	3336	3030	1.73
23	B₂	1770	1608	7.99
24	B₂	1582	1438	26.27
25	B₂	1382	1255	4.52
26	B₂	1235	1122	4.76
27	B₂	1125	1022	43.25
28	B₂	803	730	21.58
29	B₂	462	420	0.51
30	B₂	365	332	0.51

Atom	y (Å)	z (Å)
C1	0.693	-0.028
C2	-0.693	-0.028
C3	1.381	1.174
C4	-1.381	1.174
C5	0.692	2.371
C6	-0.692	2.371
Cl7	1.606	-1.503
Cl8	-1.606	-1.503
H9	2.454	1.159
H10	-2.454	1.159
H11	1.237	3.297
H12	-1.237	3.297

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3851	1.3853	2.3968	2.3984	2.7695	1.7356	2.7316	2.1240	3.3630	3.3690	3.8440
C2	1.3851		2.3968	1.3853	2.7695	2.3984	2.7316	1.7356	3.3630	2.1240	3.8440	3.3690
C3	1.3853	2.3968		2.7620	1.3803	2.3937	2.6873	4.0117	1.0732	3.8351	2.1275	3.3702
C4	2.3968	1.3853	2.7620		2.3937	1.3803	4.0117	2.6873	3.8351	1.0732	3.3702	2.1275
C5	2.3984	2.7695	1.3803	2.3937		1.3846	3.9804	4.5046	2.1381	3.3716	1.0745	2.1399
C6	2.7695	2.3984	2.3937	1.3803	1.3846		4.5046	3.9804	3.3716	2.1381	2.1399	1.0745
Cl7	1.7356	2.7316	2.6873	4.0117	3.9804	4.5046		3.2122	2.7943	4.8553	4.8146	5.5791
Cl8	2.7316	1.7356	4.0117	2.6873	4.5046	3.9804	3.2122		4.8553	2.7943	5.5791	4.8146
H9	2.1240	3.3630	1.0732	3.8351	2.1381	3.3716	2.7943	4.8553		4.9081	2.4602	4.2653
H10	3.3630	2.1240	3.8351	1.0732	3.3716	2.1381	4.8553	2.7943	4.9081		4.2653	2.4602
H11	3.3690	3.8440	2.1275	3.3702	1.0745	2.1399	4.8146	5.5791	2.4602	4.2653		2.4734
H12	3.8440	3.3690	3.3702	2.1275	2.1399	1.0745	5.5791	4.8146	4.2653	2.4602	2.4734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.800	C1	C2	Cl8	121.761
C1	C3	C5	120.272	C1	C3	H9	118.983
C2	C1	C3	119.800	C2	C1	Cl7	121.761
C2	C4	C6	120.272	C2	C4	H10	118.983
C3	C1	Cl7	118.440	C3	C5	C6	119.929
C3	C5	H11	119.629	C4	C2	Cl8	118.440
C4	C6	C5	119.929	C4	C6	H12	119.629
C5	C3	H9	120.745	C5	C6	H12	120.442
C6	C4	H10	120.745	C6	C5	H11	120.442

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

using model chemistry: HF/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	0.016
4	C	0.016
5	C	-0.086
6	C	-0.086
7	Cl	-0.062
8	Cl	-0.062
9	H	0.133
10	H	0.133
11	H	0.113
12	H	0.113

<r²>	359.239
(<r²>)^1/2	18.954

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

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

States and conformations

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