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	hartrees
Energy at 0K	-1149.784875
Energy at 298.15K	-1149.789050
HF Energy	-1148.531069
Nuclear repulsion energy	449.949819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3266	3085	0.00
2	A_g	1618	1529	0.00
3	A_g	1201	1135	0.00
4	A_g	1133	1071	0.00
5	A_g	761	719	0.00
6	A_g	332	314	0.00
7	A_u	938	886	0.00
8	A_u	412	389	0.00
9	B_1g	836	790	0.00
10	B_1u	3252	3071	0.04
11	B_1u	1505	1421	101.28
12	B_1u	1126	1063	90.67
13	B_1u	1018	961	52.53
14	B_1u	568	537	22.80
15	B_2g	940	888	0.00
16	B_2g	676	638	0.00
17	B_2g	300	283	0.00
18	B_2u	3265	3084	0.12
19	B_2u	1468	1387	0.71
20	B_2u	1407	1329	6.75
21	B_2u	1124	1061	5.44
22	B_2u	223	210	1.06
23	B_3g	3253	3072	0.00
24	B_3g	1618	1528	0.00
25	B_3g	1309	1236	0.00
26	B_3g	627	592	0.00
27	B_3g	354	334	0.00
28	B_3u	834	788	47.35
29	B_3u	494	466	11.82
30	B_3u	103	97	0.64

Atom	y (Å)	z (Å)
C1	0.000	1.380
C2	0.000	-1.380
C3	1.213	0.696
C4	-1.213	0.696
C5	-1.213	-0.696
C6	1.213	-0.696
Cl7	0.000	3.113
Cl8	0.000	-3.113
H9	2.146	1.247
H10	-2.146	1.247
H11	-2.146	-1.247
H12	2.146	-1.247

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7610	1.3930	1.3930	2.4052	2.4052	1.7323	4.4933	2.1497	2.1497	3.3923	3.3923
C2	2.7610		2.4052	2.4052	1.3930	1.3930	4.4933	1.7323	3.3923	3.3923	2.1497	2.1497
C3	1.3930	2.4052		2.4267	2.7978	1.3925	2.7041	3.9976	1.0828	3.4037	3.8805	2.1554
C4	1.3930	2.4052	2.4267		1.3925	2.7978	2.7041	3.9976	3.4037	1.0828	2.1554	3.8805
C5	2.4052	1.3930	2.7978	1.3925		2.4267	3.9976	2.7041	3.8805	2.1554	1.0828	3.4037
C6	2.4052	1.3930	1.3925	2.7978	2.4267		3.9976	2.7041	2.1554	3.8805	3.4037	1.0828
Cl7	1.7323	4.4933	2.7041	2.7041	3.9976	3.9976		6.2256	2.8432	2.8432	4.8592	4.8592
Cl8	4.4933	1.7323	3.9976	3.9976	2.7041	2.7041	6.2256		4.8592	4.8592	2.8432	2.8432
H9	2.1497	3.3923	1.0828	3.4037	3.8805	2.1554	2.8432	4.8592		4.2910	4.9633	2.4942
H10	2.1497	3.3923	3.4037	1.0828	2.1554	3.8805	2.8432	4.8592	4.2910		2.4942	4.9633
H11	3.3923	2.1497	3.8805	2.1554	1.0828	3.4037	4.8592	2.8432	4.9633	2.4942		4.2910
H12	3.3923	2.1497	2.1554	3.8805	3.4037	1.0828	4.8592	2.8432	2.4942	4.9633	4.2910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.420	C1	C3	H9	119.999
C1	C4	C5	119.420	C1	C4	H10	119.999
C2	C5	C4	119.420	C2	C5	H11	119.999
C2	C6	C3	119.420	C2	C6	H12	119.999
C3	C1	C4	121.160	C3	C1	Cl7	119.420
C3	C6	H12	120.581	C4	C1	Cl7	119.420
C4	C5	H11	120.581	C5	C2	C6	121.160
C5	C2	Cl8	119.420	C5	C4	H10	120.581
C6	C2	Cl8	119.420	C6	C3	H9	120.581

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

using model chemistry: MP2/6-31G(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 (1,4-dichlorobenzene)

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

States and conformations

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