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	hartrees
Energy at 0K	-1149.717482
Energy at 298.15K	-1149.721594
HF Energy	-1148.568719
Nuclear repulsion energy	448.802113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3138	0.66
2	A₁	3236	3135	2.17
3	A₁	3207	3107	4.52
4	A₁	1633	1582	19.80
5	A₁	1437	1392	14.72
6	A₁	1153	1117	20.41
7	A₁	1097	1062	11.04
8	A₁	1002	971	4.25
9	A₁	669	648	1.73
10	A₁	401	388	2.34
11	A₁	196	190	0.39
12	A₂	891	863	0.00
13	A₂	529	512	0.00
14	A₂	203	197	0.00
15	B₁	955	925	0.21
16	B₁	845	819	3.95
17	B₁	769	745	58.82
18	B₁	595	577	1.54
19	B₁	433	419	4.48
20	B₁	168	163	0.11
21	B₂	3231	3130	0.77
22	B₂	1636	1585	68.94
23	B₂	1485	1438	61.71
24	B₂	1304	1264	2.27
25	B₂	1260	1220	1.16
26	B₂	1176	1139	0.27
27	B₂	1108	1073	19.46
28	B₂	795	770	70.09
29	B₂	430	416	2.83
30	B₂	365	353	0.23

Atom	y (Å)	z (Å)
C1	0.000	2.093
C2	1.223	1.400
C3	-1.223	1.400
C4	1.203	-0.004
C5	-1.203	-0.004
C6	0.000	-0.727
Cl7	2.722	-0.888
Cl8	-2.722	-0.888
H9	0.000	3.187
H10	2.176	1.934
H11	-2.176	1.934
H12	0.000	-1.818

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4060	1.4060	2.4170	2.4170	2.8194	4.0362	4.0362	1.0940	2.1819	2.1819	3.9110
C2	1.4060		2.4468	1.4036	2.8031	2.4534	2.7346	4.5605	2.1655	1.0923	3.4413	3.4428
C3	1.4060	2.4468		2.8031	1.4036	2.4534	4.5605	2.7346	2.1655	3.4413	1.0923	3.4428
C4	2.4170	1.4036	2.8031		2.4061	1.4037	1.7573	4.0233	3.4096	2.1683	3.8953	2.1772
C5	2.4170	2.8031	1.4036	2.4061		1.4037	4.0233	1.7573	3.4096	3.8953	2.1683	2.1772
C6	2.8194	2.4534	2.4534	1.4037	1.4037		2.7266	2.7266	3.9134	3.4373	3.4373	1.0915
Cl7	4.0362	2.7346	4.5605	1.7573	4.0233	2.7266		5.4438	4.8999	2.8739	5.6526	2.8766
Cl8	4.0362	4.5605	2.7346	4.0233	1.7573	2.7266	5.4438		4.8999	5.6526	2.8739	2.8766
H9	1.0940	2.1655	2.1655	3.4096	3.4096	3.9134	4.8999	4.8999		2.5109	2.5109	5.0050
H10	2.1819	1.0923	3.4413	2.1683	3.8953	3.4373	2.8739	5.6526	2.5109		4.3523	4.3376
H11	2.1819	3.4413	1.0923	3.8953	2.1683	3.4373	5.6526	2.8739	2.5109	4.3523		4.3376
H12	3.9110	3.4428	3.4428	2.1772	2.1772	1.0915	2.8766	2.8766	5.0050	4.3376	4.3376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.694	C1	C2	H10	121.197
C1	C3	C5	118.694	C1	C3	H11	121.197
C2	C1	C3	120.952	C2	C1	H9	119.524
C2	C4	C6	121.838	C2	C4	Cl7	119.370
C3	C1	H9	119.524	C3	C5	C6	121.838
C3	C5	Cl8	119.370	C4	C2	H10	120.109
C4	C6	C5	117.984	C4	C6	H12	121.008
C5	C3	H11	120.109	C5	C6	H12	121.008
C6	C4	Cl7	118.792	C6	C5	Cl8	118.792

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

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVDZ

States and conformations

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