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	hartrees
Energy at 0K	-1149.444939
Energy at 298.15K	-1149.449371
HF Energy	-1148.584162
Nuclear repulsion energy	471.453642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3343	3106	6.43
2	A₁	3326	3090	7.34
3	A₁	1721	1599	4.54
4	A₁	1588	1475	70.33
5	A₁	1309	1216	1.96
6	A₁	1232	1145	30.26
7	A₁	1215	1129	8.34
8	A₁	1113	1034	6.50
9	A₁	706	656	16.14
10	A₁	511	474	5.64
11	A₁	216	201	0.03
12	A₂	998	927	0.00
13	A₂	905	841	0.00
14	A₂	651	605	0.00
15	A₂	535	497	0.00
16	A₂	143	133	0.00
17	B₁	991	921	1.60
18	B₁	806	749	79.12
19	B₁	469	435	8.03
20	B₁	248	230	2.03
21	B₂	3338	3101	5.42
22	B₂	3312	3077	1.20
23	B₂	1737	1614	7.73
24	B₂	1545	1435	25.69
25	B₂	1350	1255	3.36
26	B₂	1213	1127	3.52
27	B₂	1098	1020	40.09
28	B₂	793	737	16.79
29	B₂	453	421	0.18
30	B₂	357	332	0.33

Atom	y (Å)	z (Å)
C1	0.694	-0.032
C2	-0.694	-0.032
C3	1.383	1.173
C4	-1.383	1.173
C5	0.693	2.372
C6	-0.693	2.372
Cl7	1.601	-1.502
Cl8	-1.601	-1.502
H9	2.459	1.157
H10	-2.459	1.157
H11	1.240	3.300
H12	-1.240	3.300

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3888	1.3877	2.4012	2.4038	2.7757	1.7269	2.7257	2.1279	3.3703	3.3770	3.8534
C2	1.3888		2.4012	1.3877	2.7757	2.4038	2.7257	1.7269	3.3703	2.1279	3.8534	3.3770
C3	1.3877	2.4012		2.7651	1.3827	2.3973	2.6835	4.0070	1.0768	3.8418	2.1325	3.3771
C4	2.4012	1.3877	2.7651		2.3973	1.3827	4.0070	2.6835	3.8418	1.0768	3.3771	2.1325
C5	2.4038	2.7757	1.3827	2.3973		1.3869	3.9783	4.5021	2.1433	3.3787	1.0777	2.1450
C6	2.7757	2.4038	2.3973	1.3827	1.3869		4.5021	3.9783	3.3787	2.1433	2.1450	1.0777
Cl7	1.7269	2.7257	2.6835	4.0070	3.9783	4.5021		3.2025	2.7935	4.8533	4.8158	5.5798
Cl8	2.7257	1.7269	4.0070	2.6835	4.5021	3.9783	3.2025		4.8533	2.7935	5.5798	4.8158
H9	2.1279	3.3703	1.0768	3.8418	2.1433	3.3787	2.7935	4.8533		4.9185	2.4663	4.2755
H10	3.3703	2.1279	3.8418	1.0768	3.3787	2.1433	4.8533	2.7935	4.9185		4.2755	2.4663
H11	3.3770	3.8534	2.1325	3.3771	1.0777	2.1450	4.8158	5.5798	2.4663	4.2755		2.4799
H12	3.8534	3.3770	3.3771	2.1325	2.1450	1.0777	5.5798	4.8158	4.2755	2.4663	2.4799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.731	C1	C2	Cl8	121.679
C1	C3	C5	120.377	C1	C3	H9	118.875
C2	C1	C3	119.731	C2	C1	Cl7	121.679
C2	C4	C6	120.377	C2	C4	H10	118.875
C3	C1	Cl7	118.590	C3	C5	C6	119.891
C3	C5	H11	119.641	C4	C2	Cl8	118.590
C4	C6	C5	119.891	C4	C6	H12	119.641
C5	C3	H9	120.747	C5	C6	H12	120.468
C6	C4	H10	120.747	C6	C5	H11	120.468

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

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

States and conformations

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