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	hartrees
Energy at 0K	-1149.650146
Energy at 298.15K	-1149.654354
HF Energy	-1148.558818
Nuclear repulsion energy	449.743243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3119	0.43
2	A₁	3256	3115	2.40
3	A₁	3226	3086	4.24
4	A₁	1661	1589	21.31
5	A₁	1462	1399	13.47
6	A₁	1175	1124	19.75
7	A₁	1109	1061	8.51
8	A₁	1017	973	3.86
9	A₁	679	649	1.31
10	A₁	408	390	2.28
11	A₁	198	189	0.43
12	A₂	911	871	0.00
13	A₂	537	513	0.00
14	A₂	206	197	0.00
15	B₁	975	932	0.01
16	B₁	881	842	7.40
17	B₁	787	753	49.18
18	B₁	636	608	5.00
19	B₁	439	420	3.48
20	B₁	170	163	0.07
21	B₂	3251	3110	0.87
22	B₂	1668	1596	63.37
23	B₂	1517	1451	56.43
24	B₂	1326	1269	0.79
25	B₂	1279	1224	2.26
26	B₂	1184	1133	0.51
27	B₂	1121	1073	16.47
28	B₂	811	776	62.72
29	B₂	435	417	2.30
30	B₂	369	353	0.17

Atom	y (Å)	z (Å)
C1	0.000	2.088
C2	1.221	1.397
C3	-1.221	1.397
C4	1.205	-0.005
C5	-1.205	-0.005
C6	0.000	-0.722
Cl7	2.715	-0.886
Cl8	-2.715	-0.886
H9	0.000	3.184
H10	2.173	1.934
H11	-2.173	1.934
H12	0.000	-1.814

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4031	1.4031	2.4157	2.4157	2.8102	4.0278	4.0278	1.0951	2.1787	2.1787	3.9027
C2	1.4031		2.4416	1.4021	2.8019	2.4452	2.7289	4.5505	2.1640	1.0932	3.4362	3.4353
C3	1.4031	2.4416		2.8019	1.4021	2.4452	4.5505	2.7289	2.1640	3.4362	1.0932	3.4353
C4	2.4157	1.4021	2.8019		2.4100	1.4020	1.7487	4.0183	3.4088	2.1671	3.8951	2.1736
C5	2.4157	2.8019	1.4021	2.4100		1.4020	4.0183	1.7487	3.4088	3.8951	2.1671	2.1736
C6	2.8102	2.4452	2.4452	1.4020	1.4020		2.7204	2.7204	3.9053	3.4313	3.4313	1.0924
Cl7	4.0278	2.7289	4.5505	1.7487	4.0183	2.7204		5.4309	4.8926	2.8716	5.6437	2.8696
Cl8	4.0278	4.5505	2.7289	4.0183	1.7487	2.7204	5.4309		4.8926	5.6437	2.8716	2.8696
H9	1.0951	2.1640	2.1640	3.4088	3.4088	3.9053	4.8926	4.8926		2.5070	2.5070	4.9977
H10	2.1787	1.0932	3.4362	2.1671	3.8951	3.4313	2.8716	5.6437	2.5070		4.3464	4.3323
H11	2.1787	3.4362	1.0932	3.8951	2.1671	3.4313	5.6437	2.8716	2.5070	4.3464		4.3323
H12	3.9027	3.4353	3.4353	2.1736	2.1736	1.0924	2.8696	2.8696	4.9977	4.3323	4.3323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.888	C1	C2	H10	121.061
C1	C3	C5	118.888	C1	C3	H11	121.061
C2	C1	C3	120.933	C2	C1	H9	119.534
C2	C4	C6	121.382	C2	C4	Cl7	119.613
C3	C1	H9	119.534	C3	C5	C6	121.382
C3	C5	Cl8	119.613	C4	C2	H10	120.050
C4	C6	C5	118.526	C4	C6	H12	120.737
C5	C3	H11	120.050	C5	C6	H12	120.737
C6	C4	Cl7	119.005	C6	C5	Cl8	119.005

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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