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	hartrees
Energy at 0K	-1143.500477
Energy at 298.15K	-1143.504628
HF Energy	-1142.841842
Nuclear repulsion energy	442.657186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3130	1.93
2	A₁	3208	3119	1.90
3	A₁	3177	3089	2.88
4	A₁	1608	1564	26.46
5	A₁	1461	1420	9.03
6	A₁	1155	1123	11.68
7	A₁	1102	1071	16.28
8	A₁	1036	1007	2.65
9	A₁	689	670	1.23
10	A₁	379	369	3.10
11	A₁	180	175	0.93
12	A₂	926	901	0.00
13	A₂	549	534	0.00
14	A₂	209	203	0.00
15	B₁	962	935	0.00
16	B₁	915	890	18.47
17	B₁	805	782	49.51
18	B₁	689	670	25.60
19	B₁	452	439	5.42
20	B₁	168	164	0.02
21	B₂	3202	3113	0.08
22	B₂	1605	1560	70.43
23	B₂	1522	1479	31.36
24	B₂	1366	1328	1.45
25	B₂	1256	1221	0.40
26	B₂	1190	1157	0.27
27	B₂	1119	1088	13.71
28	B₂	771	750	56.85
29	B₂	423	411	5.00
30	B₂	342	333	0.16

Atom	y (Å)	z (Å)
C1	0.000	2.112
C2	1.220	1.414
C3	-1.220	1.414
C4	1.195	0.018
C5	-1.195	0.018
C6	0.000	-0.703
Cl7	2.786	-0.910
Cl8	-2.786	-0.910
H9	0.000	3.200
H10	2.170	1.942
H11	-2.170	1.942
H12	0.000	-1.788

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4060	1.4060	2.4103	2.4103	2.8143	4.1095	4.1095	1.0884	2.1769	2.1769	3.9000
C2	1.4060		2.4409	1.3953	2.7894	2.4429	2.8013	4.6310	2.1636	1.0868	3.4316	3.4267
C3	1.4060	2.4409		2.7894	1.3953	2.4429	4.6310	2.8013	2.1636	3.4316	1.0868	3.4267
C4	2.4103	1.3953	2.7894		2.3900	1.3957	1.8416	4.0873	3.3986	2.1566	3.8761	2.1663
C5	2.4103	2.7894	1.3953	2.3900		1.3957	4.0873	1.8416	3.3986	3.8761	2.1566	2.1663
C6	2.8143	2.4429	2.4429	1.3957	1.3957		2.7932	2.7932	3.9027	3.4210	3.4210	1.0858
Cl7	4.1095	2.8013	4.6310	1.8416	4.0873	2.7932		5.5710	4.9648	2.9173	5.7177	2.9208
Cl8	4.1095	4.6310	2.8013	4.0873	1.8416	2.7932	5.5710		4.9648	5.7177	2.9173	2.9208
H9	1.0884	2.1636	2.1636	3.3986	3.3986	3.9027	4.9648	4.9648		2.5085	2.5085	4.9884
H10	2.1769	1.0868	3.4316	2.1566	3.8761	3.4210	2.9173	5.7177	2.5085		4.3405	4.3157
H11	2.1769	3.4316	1.0868	3.8761	2.1566	3.4210	5.7177	2.9173	2.5085	4.3405		4.3157
H12	3.9000	3.4267	3.4267	2.1663	2.1663	1.0858	2.9208	2.9208	4.9884	4.3157	4.3157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.722	C1	C2	H10	121.144
C1	C3	C5	118.722	C1	C3	H11	121.144
C2	C1	C3	120.462	C2	C1	H9	119.769
C2	C4	C6	122.155	C2	C4	Cl7	119.222
C3	C1	H9	119.769	C3	C5	C6	122.155
C3	C5	Cl8	119.222	C4	C2	H10	120.133
C4	C6	C5	117.783	C4	C6	H12	121.108
C5	C3	H11	120.133	C5	C6	H12	121.108
C6	C4	Cl7	118.624	C6	C5	Cl8	118.624

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)

using model chemistry: CCD/3-21G

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 (1,3-dichlorobenzene)

using model chemistry: CCD/3-21G

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)