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	hartrees
Energy at 0K	-1149.865715
Energy at 298.15K
HF Energy	-1148.613409
Nuclear repulsion energy	452.799248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3105	2.22
2	A₁	3258	3104	0.27
3	A₁	3231	3078	3.37
4	A₁	1625	1549	25.86
5	A₁	1452	1383	12.14
6	A₁	1156	1101	17.06
7	A₁	1107	1054	15.56
8	A₁	1002	954	5.34
9	A₁	676	644	1.27
10	A₁	406	386	2.23
11	A₁	197	188	0.36
12	A₂	714	681	0.00
13	A₂	316	301	0.00
14	A₂	133	127	0.00
15	B₁	764	728	6.97
16	B₁	726	692	25.30
17	B₁	658	627	44.02
18	B₁	192	183	0.91
19	B₁	113	108	0.00
20	B₁	1564i	1490i	0.09
21	B₂	3253	3099	0.26
22	B₂	1627	1550	76.75
23	B₂	1504	1433	61.49
24	B₂	1438	1370	0.75
25	B₂	1310	1248	2.88
26	B₂	1203	1146	0.62
27	B₂	1120	1067	21.30
28	B₂	808	770	69.14
29	B₂	434	413	2.64
30	B₂	369	351	0.23

Atom	y (Å)	z (Å)
C1	0.000	2.073
C2	1.211	1.387
C3	-1.211	1.387
C4	1.193	-0.002
C5	-1.193	-0.002
C6	0.000	-0.714
Cl7	2.700	-0.882
Cl8	-2.700	-0.882
H9	0.000	3.155
H10	2.152	1.918
H11	-2.152	1.918
H12	0.000	-1.794

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3911	1.3911	2.3936	2.3936	2.7867	4.0023	4.0023	1.0821	2.1574	2.1574	3.8669
C2	1.3911		2.4211	1.3897	2.7766	2.4251	2.7142	4.5213	2.1423	1.0807	3.4040	3.4041
C3	1.3911	2.4211		2.7766	1.3897	2.4251	4.5213	2.7142	2.1423	3.4040	1.0807	3.4041
C4	2.3936	1.3897	2.7766		2.3866	1.3895	1.7447	3.9916	3.3750	2.1463	3.8572	2.1530
C5	2.3936	2.7766	1.3897	2.3866		1.3895	3.9916	1.7447	3.3750	3.8572	2.1463	2.1530
C6	2.7867	2.4251	2.4251	1.3895	1.3895		2.7054	2.7054	3.8688	3.3998	3.3998	1.0803
Cl7	4.0023	2.7142	4.5213	1.7447	3.9916	2.7054		5.4005	4.8562	2.8528	5.6019	2.8503
Cl8	4.0023	4.5213	2.7142	3.9916	1.7447	2.7054	5.4005		4.8562	5.6019	2.8528	2.8503
H9	1.0821	2.1423	2.1423	3.3750	3.3750	3.8688	4.8562	4.8562		2.4819	2.4819	4.9490
H10	2.1574	1.0807	3.4040	2.1463	3.8572	3.3998	2.8528	5.6019	2.4819		4.3037	4.2910
H11	2.1574	3.4040	1.0807	3.8572	2.1463	3.3998	5.6019	2.8528	2.4819	4.3037		4.2910
H12	3.8669	3.4041	3.4041	2.1530	2.1530	1.0803	2.8503	2.8503	4.9490	4.2910	4.2910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.806	C1	C2	H10	121.067
C1	C3	C5	118.806	C1	C3	H11	121.067
C2	C1	C3	120.968	C2	C1	H9	119.516
C2	C4	C6	121.523	C2	C4	Cl7	119.554
C3	C1	H9	119.516	C3	C5	C6	121.523
C3	C5	Cl8	119.554	C4	C2	H10	120.127
C4	C6	C5	118.374	C4	C6	H12	120.813
C5	C3	H11	120.127	C5	C6	H12	120.813
C6	C4	Cl7	118.923	C6	C5	Cl8	118.923

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

using model chemistry: MP2=FULL/TZVP

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: MP2=FULL/TZVP

States and conformations

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