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	hartrees
Energy at 0K	-1149.875615
Energy at 298.15K	-1149.879883
HF Energy	-1148.531285
Nuclear repulsion energy	455.102690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3281	3084	2.57
2	A₁	3279	3082	0.06
3	A₁	3252	3057	2.29
4	A₁	1628	1531	20.29
5	A₁	1448	1361	17.63
6	A₁	1169	1098	18.89
7	A₁	1108	1041	10.40
8	A₁	1008	947	5.08
9	A₁	674	633	1.47
10	A₁	411	386	2.05
11	A₁	201	189	0.46
12	A₂	906	851	0.00
13	A₂	552	519	0.00
14	A₂	207	195	0.00
15	B₁	965	907	0.35
16	B₁	888	835	11.55
17	B₁	801	753	35.80
18	B₁	700	658	9.93
19	B₁	449	422	2.83
20	B₁	172	161	0.01
21	B₂	3274	3078	0.08
22	B₂	1627	1530	62.17
23	B₂	1497	1407	62.56
24	B₂	1477	1388	7.31
25	B₂	1299	1221	4.13
26	B₂	1198	1126	0.25
27	B₂	1122	1054	22.55
28	B₂	815	766	69.47
29	B₂	435	409	1.71
30	B₂	374	352	0.17

Atom	y (Å)	z (Å)
C1	0.000	2.066
C2	1.209	1.381
C3	-1.209	1.381
C4	1.191	-0.007
C5	-1.191	-0.007
C6	0.000	-0.720
Cl7	2.681	-0.874
Cl8	-2.681	-0.874
H9	0.000	3.148
H10	2.152	1.908
H11	-2.152	1.908
H12	0.000	-1.800

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3890	1.3890	2.3906	2.3906	2.7855	3.9787	3.9787	1.0820	2.1581	2.1581	3.8657
C2	1.3890		2.4175	1.3886	2.7727	2.4241	2.6935	4.4963	2.1402	1.0807	3.4022	3.4033
C3	1.3890	2.4175		2.7727	1.3886	2.4241	4.4963	2.6935	2.1402	3.4022	1.0807	3.4033
C4	2.3906	1.3886	2.7727		2.3824	1.3882	1.7237	3.9680	3.3721	2.1428	3.8532	2.1526
C5	2.3906	2.7727	1.3886	2.3824		1.3882	3.9680	1.7237	3.3721	3.8532	2.1428	2.1526
C6	2.7855	2.4241	2.4241	1.3882	1.3882		2.6853	2.6853	3.8675	3.3969	3.3969	1.0802
Cl7	3.9787	2.6935	4.4963	1.7237	3.9680	2.6853		5.3617	4.8335	2.8321	5.5769	2.8362
Cl8	3.9787	4.4963	2.6935	3.9680	1.7237	2.6853	5.3617		4.8335	5.5769	2.8321	2.8362
H9	1.0820	2.1402	2.1402	3.3721	3.3721	3.8675	4.8335	4.8335		2.4838	2.4838	4.9477
H10	2.1581	1.0807	3.4022	2.1428	3.8532	3.3969	2.8321	5.5769	2.4838		4.3048	4.2875
H11	2.1581	3.4022	1.0807	3.8532	2.1428	3.3969	5.5769	2.8321	2.4838	4.3048		4.2875
H12	3.8657	3.4033	3.4033	2.1526	2.1526	1.0802	2.8362	2.8362	4.9477	4.2875	4.2875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.788	C1	C2	H10	121.320
C1	C3	C5	118.788	C1	C3	H11	121.320
C2	C1	C3	120.976	C2	C1	H9	119.512
C2	C4	C6	121.620	C2	C4	Cl7	119.483
C3	C1	H9	119.512	C3	C5	C6	121.620
C3	C5	Cl8	119.483	C4	C2	H10	119.892
C4	C6	C5	118.209	C4	C6	H12	120.896
C5	C3	H11	119.892	C5	C6	H12	120.896
C6	C4	Cl7	118.898	C6	C5	Cl8	118.898

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

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

States and conformations

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