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	hartrees
Energy at 0K	-1151.030905
Energy at 298.15K	-1151.035051
HF Energy	-1150.610906
Nuclear repulsion energy	468.489895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3233	7.00
2	A₁	3218	3218	8.80
3	A₁	1622	1622	3.39
4	A₁	1504	1504	65.06
5	A₁	1341	1341	1.24
6	A₁	1197	1197	0.23
7	A₁	1158	1158	46.43
8	A₁	1063	1063	8.84
9	A₁	674	674	16.12
10	A₁	483	483	7.02
11	A₁	205	205	0.05
12	A₂	939	939	0.00
13	A₂	846	846	0.00
14	A₂	635	635	0.00
15	A₂	509	509	0.00
16	A₂	135	135	0.00
17	B₁	923	923	1.34
18	B₁	755	755	73.04
19	B₁	444	444	7.28
20	B₁	233	233	2.03
21	B₂	3229	3229	6.32
22	B₂	3205	3205	1.45
23	B₂	1631	1631	7.88
24	B₂	1474	1474	22.04
25	B₂	1290	1290	3.82
26	B₂	1159	1159	2.40
27	B₂	1046	1046	41.13
28	B₂	754	754	20.36
29	B₂	432	432	0.30
30	B₂	340	340	0.47

Atom	y (Å)	z (Å)
C1	0.699	-0.029
C2	-0.699	-0.029
C3	1.392	1.182
C4	-1.392	1.182
C5	0.697	2.387
C6	-0.697	2.387
Cl7	1.608	-1.513
Cl8	-1.608	-1.513
H9	2.474	1.165
H10	-2.474	1.165
H11	1.247	3.321
H12	-1.247	3.321

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3986	1.3952	2.4166	2.4165	2.7910	1.7403	2.7435	2.1394	3.3910	3.3948	3.8745
C2	1.3986		2.4166	1.3952	2.7910	2.4165	2.7435	1.7403	3.3910	2.1394	3.8745	3.3948
C3	1.3952	2.4166		2.7838	1.3912	2.4118	2.7041	4.0330	1.0827	3.8664	2.1442	3.3967
C4	2.4166	1.3952	2.7838		2.4118	1.3912	4.0330	2.7041	3.8664	1.0827	3.3967	2.1442
C5	2.4165	2.7910	1.3912	2.4118		1.3943	4.0057	4.5310	2.1571	3.3990	1.0835	2.1564
C6	2.7910	2.4165	2.4118	1.3912	1.3943		4.5310	4.0057	3.3990	2.1571	2.1564	1.0835
Cl7	1.7403	2.7435	2.7041	4.0330	4.0057	4.5310		3.2161	2.8150	4.8827	4.8481	5.6145
Cl8	2.7435	1.7403	4.0330	2.7041	4.5310	4.0057	3.2161		4.8827	2.8150	5.6145	4.8481
H9	2.1394	3.3910	1.0827	3.8664	2.1571	3.3990	2.8150	4.8827		4.9489	2.4814	4.3006
H10	3.3910	2.1394	3.8664	1.0827	3.3990	2.1571	4.8827	2.8150	4.9489		4.3006	2.4814
H11	3.3948	3.8745	2.1442	3.3967	1.0835	2.1564	4.8481	5.6145	2.4814	4.3006		2.4931
H12	3.8745	3.3948	3.3967	2.1442	2.1564	1.0835	5.6145	4.8481	4.3006	2.4814	2.4931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.762	C1	C2	Cl8	121.477
C1	C3	C5	120.280	C1	C3	H9	118.861
C2	C1	C3	119.762	C2	C1	Cl7	121.477
C2	C4	C6	120.280	C2	C4	H10	118.861
C3	C1	Cl7	118.761	C3	C5	C6	119.958
C3	C5	H11	119.573	C4	C2	Cl8	118.761
C4	C6	C5	119.958	C4	C6	H12	119.573
C5	C3	H9	120.860	C5	C6	H12	120.469
C6	C4	H10	120.860	C6	C5	H11	120.469

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

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