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	hartrees
Energy at 0K	-1149.873292
Energy at 298.15K	-1149.877580
HF Energy	-1148.526480
Nuclear repulsion energy	472.122092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3079	2.31
2	A₁	3261	3065	1.74
3	A₁	1622	1525	3.77
4	A₁	1499	1409	55.72
5	A₁	1469	1381	10.31
6	A₁	1194	1123	8.30
7	A₁	1183	1112	30.24
8	A₁	1065	1001	5.26
9	A₁	672	631	13.56
10	A₁	492	463	3.95
11	A₁	205	193	0.01
12	A₂	971	913	0.00
13	A₂	879	826	0.00
14	A₂	718	675	0.00
15	A₂	528	496	0.00
16	A₂	141	133	0.00
17	B₁	942	885	1.34
18	B₁	777	731	52.43
19	B₁	453	425	3.21
20	B₁	239	224	0.59
21	B₂	3270	3073	0.15
22	B₂	3250	3054	0.70
23	B₂	1629	1531	5.75
24	B₂	1461	1373	19.46
25	B₂	1279	1202	3.07
26	B₂	1163	1093	2.43
27	B₂	1047	984	33.56
28	B₂	764	718	13.20
29	B₂	438	412	0.24
30	B₂	342	322	0.04

Atom	y (Å)	z (Å)
C1	0.697	-0.033
C2	-0.697	-0.033
C3	1.389	1.173
C4	-1.389	1.173
C5	0.695	2.374
C6	-0.695	2.374
Cl7	1.583	-1.503
Cl8	-1.583	-1.503
H9	2.470	1.153
H10	-2.470	1.153
H11	1.243	3.307
H12	-1.243	3.307

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3949	1.3910	2.4103	2.4080	2.7816	1.7154	2.7127	2.1328	3.3823	3.3848	3.8632
C2	1.3949		2.4103	1.3910	2.7816	2.4080	2.7127	1.7154	3.3823	2.1328	3.8632	3.3848
C3	1.3910	2.4103		2.7779	1.3871	2.4054	2.6831	3.9992	1.0813	3.8590	2.1386	3.3882
C4	2.4103	1.3910	2.7779		2.4054	1.3871	3.9992	2.6831	3.8590	1.0813	3.3882	2.1386
C5	2.4080	2.7816	1.3871	2.4054		1.3902	3.9775	4.4969	2.1548	3.3927	1.0816	2.1508
C6	2.7816	2.4080	2.4054	1.3871	1.3902		4.4969	3.9775	3.3927	2.1548	2.1508	1.0816
Cl7	1.7154	2.7127	2.6831	3.9992	3.9775	4.4969		3.1659	2.7996	4.8453	4.8217	5.5785
Cl8	2.7127	1.7154	3.9992	2.6831	4.4969	3.9775	3.1659		4.8453	2.7996	5.5785	4.8217
H9	2.1328	3.3823	1.0813	3.8590	2.1548	3.3927	2.7996	4.8453		4.9400	2.4792	4.2928
H10	3.3823	2.1328	3.8590	1.0813	3.3927	2.1548	4.8453	2.7996	4.9400		4.2928	2.4792
H11	3.3848	3.8632	2.1386	3.3882	1.0816	2.1508	4.8217	5.5785	2.4792	4.2928		2.4862
H12	3.8632	3.3848	3.3882	2.1386	2.1508	1.0816	5.5785	4.8217	4.2928	2.4792	2.4862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.811	C1	C2	Cl8	121.077
C1	C3	C5	120.174	C1	C3	H9	118.713
C2	C1	C3	119.811	C2	C1	Cl7	121.077
C2	C4	C6	120.174	C2	C4	H10	118.713
C3	C1	Cl7	119.112	C3	C5	C6	120.015
C3	C5	H11	119.545	C4	C2	Cl8	119.112
C4	C6	C5	120.015	C4	C6	H12	119.545
C5	C3	H9	121.112	C5	C6	H12	120.441
C6	C4	H10	121.112	C6	C5	H11	120.441

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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: MP2=FULL/6-31G(2df,p)

States and conformations

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