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	hartrees
Energy at 0K	-1150.755188
Energy at 298.15K	-1150.759216
HF Energy	-1150.755188
Nuclear repulsion energy	465.971288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3120	3.71
2	A₁	3142	3106	6.53
3	A₁	1573	1555	5.59
4	A₁	1446	1429	62.84
5	A₁	1340	1325	2.07
6	A₁	1151	1138	1.19
7	A₁	1117	1104	54.30
8	A₁	1035	1023	11.66
9	A₁	651	643	16.53
10	A₁	470	465	7.83
11	A₁	197	195	0.04
12	A₂	946	935	0.00
13	A₂	827	817	0.00
14	A₂	687	680	0.00
15	A₂	508	502	0.00
16	A₂	130	129	0.00
17	B₁	911	900	1.62
18	B₁	731	722	71.25
19	B₁	432	427	5.84
20	B₁	228	225	1.52
21	B₂	3152	3116	3.30
22	B₂	3130	3094	1.14
23	B₂	1579	1561	11.40
24	B₂	1418	1402	18.30
25	B₂	1235	1221	3.11
26	B₂	1121	1108	0.90
27	B₂	1005	994	41.70
28	B₂	729	720	20.72
29	B₂	421	416	0.50
30	B₂	330	327	0.49

Atom	y (Å)	z (Å)
C1	0.705	-0.031
C2	-0.705	-0.031
C3	1.402	1.189
C4	-1.402	1.189
C5	0.702	2.402
C6	-0.702	2.402
Cl7	1.611	-1.522
Cl8	-1.611	-1.522
H9	2.495	1.171
H10	-2.495	1.171
H11	1.257	3.344
H12	-1.257	3.344

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4104	1.4048	2.4348	2.4325	2.8100	1.7453	2.7553	2.1557	3.4182	3.4195	3.9035
C2	1.4104		2.4348	1.4048	2.8100	2.4325	2.7553	1.7453	3.4182	2.1557	3.9035	3.4195
C3	1.4048	2.4348		2.8040	1.4004	2.4281	2.7195	4.0537	1.0929	3.8968	2.1599	3.4222
C4	2.4348	1.4048	2.8040		2.4281	1.4004	4.0537	2.7195	3.8968	1.0929	3.4222	2.1599
C5	2.4325	2.8100	1.4004	2.4281		1.4032	4.0282	4.5551	2.1748	3.4250	1.0936	2.1731
C6	2.8100	2.4325	2.4281	1.4004	1.4032		4.5551	4.0282	3.4250	2.1748	2.1731	1.0936
Cl7	1.7453	2.7553	2.7195	4.0537	4.0282	4.5551		3.2228	2.8347	4.9108	4.8794	5.6486
Cl8	2.7553	1.7453	4.0537	2.7195	4.5551	4.0282	3.2228		4.9108	2.8347	5.6486	4.8794
H9	2.1557	3.4182	1.0929	3.8968	2.1748	3.4250	2.8347	4.9108		4.9894	2.5009	4.3351
H10	3.4182	2.1557	3.8968	1.0929	3.4250	2.1748	4.9108	2.8347	4.9894		4.3351	2.5009
H11	3.4195	3.9035	2.1599	3.4222	1.0936	2.1731	4.8794	5.6486	2.5009	4.3351		2.5130
H12	3.9035	3.4195	3.4222	2.1599	2.1731	1.0936	5.6486	4.8794	4.3351	2.5009	2.5130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.737	C1	C2	Cl8	121.280
C1	C3	C5	120.255	C1	C3	H9	118.799
C2	C1	C3	119.737	C2	C1	Cl7	121.280
C2	C4	C6	120.255	C2	C4	H10	118.799
C3	C1	Cl7	118.983	C3	C5	C6	120.008
C3	C5	H11	119.500	C4	C2	Cl8	118.983
C4	C6	C5	120.008	C4	C6	H12	119.500
C5	C3	H9	120.946	C5	C6	H12	120.492
C6	C4	H10	120.946	C6	C5	H11	120.492

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

using model chemistry: PBEPBE/6-31+G**

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	-0.260
2	C	-0.260
3	C	-0.261
4	C	-0.261
5	C	-0.092
6	C	-0.092
7	Cl	0.295
8	Cl	0.295
9	H	0.166
10	H	0.166
11	H	0.152
12	H	0.152

<r²>	365.881
(<r²>)^1/2	19.128

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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