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	hartrees
Energy at 0K	-1151.429799
Energy at 298.15K	-1151.433744
HF Energy	-1151.429799
Nuclear repulsion energy	463.933169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3126	3.30
2	A₁	3118	3110	8.84
3	A₁	1546	1543	2.67
4	A₁	1442	1438	58.67
5	A₁	1283	1279	0.70
6	A₁	1164	1161	0.13
7	A₁	1092	1089	50.29
8	A₁	1025	1023	15.92
9	A₁	651	649	16.24
10	A₁	455	454	10.78
11	A₁	193	192	0.03
12	A₂	909	907	0.00
13	A₂	824	822	0.00
14	A₂	625	623	0.00
15	A₂	492	490	0.00
16	A₂	128	128	0.00
17	B₁	899	897	1.15
18	B₁	735	733	61.86
19	B₁	429	428	5.65
20	B₁	223	223	1.38
21	B₂	3130	3123	3.60
22	B₂	3106	3098	1.75
23	B₂	1550	1546	8.22
24	B₂	1422	1418	16.68
25	B₂	1245	1242	3.82
26	B₂	1118	1115	0.66
27	B₂	1009	1006	39.50
28	B₂	719	717	24.56
29	B₂	411	410	1.25
30	B₂	326	325	0.62

Atom	y (Å)	z (Å)
C1	0.703	-0.020
C2	-0.703	-0.020
C3	1.400	1.196
C4	-1.400	1.196
C5	0.700	2.407
C6	-0.700	2.407
Cl7	1.629	-1.531
Cl8	-1.629	-1.531
H9	2.488	1.180
H10	-2.488	1.180
H11	1.253	3.345
H12	-1.253	3.345

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4056	1.4017	2.4290	2.4270	2.8034	1.7724	2.7787	2.1509	3.4087	3.4100	3.8923
C2	1.4056		2.4290	1.4017	2.8034	2.4270	2.7787	1.7724	3.4087	2.1509	3.8923	3.4100
C3	1.4017	2.4290		2.7998	1.3985	2.4244	2.7367	4.0758	1.0878	3.8876	2.1543	3.4141
C4	2.4290	1.4017	2.7998		2.4244	1.3985	4.0758	2.7367	3.8876	1.0878	3.4141	2.1543
C5	2.4270	2.8034	1.3985	2.4244		1.4008	4.0460	4.5754	2.1677	3.4158	1.0889	2.1669
C6	2.8034	2.4270	2.4244	1.3985	1.4008		4.5754	4.0460	3.4158	2.1677	2.1669	1.0889
Cl7	1.7724	2.7787	2.7367	4.0758	4.0460	4.5754		3.2583	2.8440	4.9294	4.8909	5.6643
Cl8	2.7787	1.7724	4.0758	2.7367	4.5754	4.0460	3.2583		4.9294	2.8440	5.6643	4.8909
H9	2.1509	3.4087	1.0878	3.8876	2.1677	3.4158	2.8440	4.9294		4.9752	2.4924	4.3218
H10	3.4087	2.1509	3.8876	1.0878	3.4158	2.1677	4.9294	2.8440	4.9752		4.3218	2.4924
H11	3.4100	3.8923	2.1543	3.4141	1.0889	2.1669	4.8909	5.6643	2.4924	4.3218		2.5055
H12	3.8923	3.4100	3.4141	2.1543	2.1669	1.0889	5.6643	4.8909	4.3218	2.4924	2.5055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.824	C1	C2	Cl8	121.511
C1	C3	C5	120.161	C1	C3	H9	118.997
C2	C1	C3	119.824	C2	C1	Cl7	121.511
C2	C4	C6	120.161	C2	C4	H10	118.997
C3	C1	Cl7	118.665	C3	C5	C6	120.015
C3	C5	H11	119.502	C4	C2	Cl8	118.665
C4	C6	C5	120.015	C4	C6	H12	119.502
C5	C3	H9	120.842	C5	C6	H12	120.483
C6	C4	H10	120.842	C6	C5	H11	120.483

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

using model chemistry: BLYP/TZVP

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	-0.067
2	C	-0.067
3	C	-0.032
4	C	-0.032
5	C	-0.090
6	C	-0.090
7	Cl	-0.046
8	Cl	-0.046
9	H	0.124
10	H	0.124
11	H	0.112
12	H	0.112

<r²>	369.213
(<r²>)^1/2	19.215

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

using model chemistry: BLYP/TZVP

States and conformations

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