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	hartrees
Energy at 0K	-1151.411066
Energy at 298.15K	-1151.415031
HF Energy	-1151.411066
Nuclear repulsion energy	463.861925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3126	3118	6.49
2	A₁	3108	3101	15.60
3	A₁	1552	1548	2.61
4	A₁	1444	1441	59.22
5	A₁	1284	1281	0.72
6	A₁	1162	1159	0.08
7	A₁	1094	1091	52.40
8	A₁	1025	1023	13.67
9	A₁	649	647	17.28
10	A₁	456	454	10.63
11	A₁	196	195	0.06
12	A₂	935	933	0.00
13	A₂	823	821	0.00
14	A₂	677	675	0.00
15	A₂	502	501	0.00
16	A₂	129	128	0.00
17	B₁	899	897	1.49
18	B₁	728	726	65.58
19	B₁	433	432	6.89
20	B₁	224	223	1.73
21	B₂	3122	3114	9.88
22	B₂	3095	3087	2.57
23	B₂	1555	1551	8.17
24	B₂	1423	1419	19.39
25	B₂	1246	1242	4.09
26	B₂	1118	1115	1.45
27	B₂	1003	1001	43.11
28	B₂	717	715	26.98
29	B₂	411	410	0.83
30	B₂	327	326	0.89

Atom	y (Å)	z (Å)
C1	0.704	-0.023
C2	-0.704	-0.023
C3	1.402	1.196
C4	-1.402	1.196
C5	0.701	2.408
C6	-0.701	2.408
Cl7	1.628	-1.530
Cl8	-1.628	-1.530
H9	2.492	1.180
H10	-2.492	1.180
H11	1.255	3.348
H12	-1.255	3.348

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4081	1.4038	2.4328	2.4304	2.8075	1.7684	2.7772	2.1544	3.4145	3.4156	3.8988
C2	1.4081		2.4328	1.4038	2.8075	2.4304	2.7772	1.7684	3.4145	2.1544	3.8988	3.4156
C3	1.4038	2.4328		2.8036	1.4001	2.4274	2.7352	4.0757	1.0900	3.8935	2.1578	3.4194
C4	2.4328	1.4038	2.8036		2.4274	1.4001	4.0757	2.7352	3.8935	1.0900	3.4194	2.1578
C5	2.4304	2.8075	1.4001	2.4274		1.4025	4.0458	4.5755	2.1711	3.4210	1.0913	2.1704
C6	2.8075	2.4304	2.4274	1.4001	1.4025		4.5755	4.0458	3.4210	2.1711	2.1704	1.0913
Cl7	1.7684	2.7772	2.7352	4.0757	4.0458	4.5755		3.2565	2.8443	4.9314	4.8929	5.6668
Cl8	2.7772	1.7684	4.0757	2.7352	4.5755	4.0458	3.2565		4.9314	2.8443	5.6668	4.8929
H9	2.1544	3.4145	1.0900	3.8935	2.1711	3.4210	2.8443	4.9314		4.9834	2.4965	4.3288
H10	3.4145	2.1544	3.8935	1.0900	3.4210	2.1711	4.9314	2.8443	4.9834		4.3288	2.4965
H11	3.4156	3.8988	2.1578	3.4194	1.0913	2.1704	4.8929	5.6668	2.4965	4.3288		2.5097
H12	3.8988	3.4156	3.4194	2.1578	2.1704	1.0913	5.6668	4.8929	4.3288	2.4965	2.5097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.803	C1	C2	Cl8	121.508
C1	C3	C5	120.176	C1	C3	H9	118.975
C2	C1	C3	119.803	C2	C1	Cl7	121.508
C2	C4	C6	120.176	C2	C4	H10	118.975
C3	C1	Cl7	118.689	C3	C5	C6	120.021
C3	C5	H11	119.498	C4	C2	Cl8	118.689
C4	C6	C5	120.021	C4	C6	H12	119.498
C5	C3	H9	120.849	C5	C6	H12	120.481
C6	C4	H10	120.849	C6	C5	H11	120.481

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

using model chemistry: BLYP/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	-0.092
2	C	-0.092
3	C	-0.106
4	C	-0.106
5	C	-0.171
6	C	-0.171
7	Cl	-0.034
8	Cl	-0.034
9	H	0.212
10	H	0.212
11	H	0.191
12	H	0.191

<r²>	369.356
(<r²>)^1/2	19.219

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

using model chemistry: BLYP/6-311G*

States and conformations

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