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	hartrees
Energy at 0K	-1149.992051
Energy at 298.15K	-1149.996168
HF Energy	-1148.650680
Nuclear repulsion energy	450.001158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3238	3086	0.00
2	A_g	1613	1537	0.00
3	A_g	1184	1128	0.00
4	A_g	1122	1070	0.00
5	A_g	757	721	0.00
6	A_g	331	315	0.00
7	A_u	948	904	0.00
8	A_u	389	371	0.00
9	B_1g	822	783	0.00
10	B_1u	3222	3070	0.27
11	B_1u	1494	1423	95.87
12	B_1u	1115	1063	94.70
13	B_1u	1024	976	43.15
14	B_1u	563	536	23.92
15	B_2g	920	877	0.00
16	B_2g	639	609	0.00
17	B_2g	294	281	0.00
18	B_2u	3236	3084	0.07
19	B_2u	1467	1398	0.63
20	B_2u	1396	1330	5.03
21	B_2u	1109	1057	6.57
22	B_2u	220	210	0.73
23	B_3g	3223	3071	0.00
24	B_3g	1610	1534	0.00
25	B_3g	1300	1239	0.00
26	B_3g	628	599	0.00
27	B_3g	350	334	0.00
28	B_3u	827	788	49.02
29	B_3u	484	461	17.92
30	B_3u	101	96	0.36

Atom	y (Å)	z (Å)
C1	0.000	1.381
C2	0.000	-1.381
C3	1.212	0.696
C4	-1.212	0.696
C5	-1.212	-0.696
C6	1.212	-0.696
Cl7	0.000	3.114
Cl8	0.000	-3.114
H9	2.143	1.247
H10	-2.143	1.247
H11	-2.143	-1.247
H12	2.143	-1.247

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7613	1.3920	1.3920	2.4046	2.4046	1.7332	4.4946	2.1467	2.1467	3.3902	3.3902
C2	2.7613		2.4046	2.4046	1.3920	1.3920	4.4946	1.7332	3.3902	3.3902	2.1467	2.1467
C3	1.3920	2.4046		2.4241	2.7955	1.3923	2.7046	3.9982	1.0811	3.3995	3.8766	2.1541
C4	1.3920	2.4046	2.4241		1.3923	2.7955	2.7046	3.9982	3.3995	1.0811	2.1541	3.8766
C5	2.4046	1.3920	2.7955	1.3923		2.4241	3.9982	2.7046	3.8766	2.1541	1.0811	3.3995
C6	2.4046	1.3920	1.3923	2.7955	2.4241		3.9982	2.7046	2.1541	3.8766	3.3995	1.0811
Cl7	1.7332	4.4946	2.7046	2.7046	3.9982	3.9982		6.2278	2.8420	2.8420	4.8585	4.8585
Cl8	4.4946	1.7332	3.9982	3.9982	2.7046	2.7046	6.2278		4.8585	4.8585	2.8420	2.8420
H9	2.1467	3.3902	1.0811	3.3995	3.8766	2.1541	2.8420	4.8585		4.2850	4.9576	2.4933
H10	2.1467	3.3902	3.3995	1.0811	2.1541	3.8766	2.8420	4.8585	4.2850		2.4933	4.9576
H11	3.3902	2.1467	3.8766	2.1541	1.0811	3.3995	4.8585	2.8420	4.9576	2.4933		4.2850
H12	3.3902	2.1467	2.1541	3.8766	3.3995	1.0811	4.8585	2.8420	2.4933	4.9576	4.2850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.456	C1	C3	H9	119.933
C1	C4	C5	119.456	C1	C4	H10	119.933
C2	C5	C4	119.456	C2	C5	H11	119.933
C2	C6	C3	119.456	C2	C6	H12	119.933
C3	C1	C4	121.089	C3	C1	Cl7	119.456
C3	C6	H12	120.611	C4	C1	Cl7	119.456
C4	C5	H11	120.611	C5	C2	C6	121.089
C5	C2	Cl8	119.456	C5	C4	H10	120.611
C6	C2	Cl8	119.456	C6	C3	H9	120.611

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)

using model chemistry: MP2/aug-cc-pVTZ

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 (1,4-dichlorobenzene)

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)