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	hartrees
Energy at 0K	-1149.553331
Energy at 298.15K	-1149.557299
HF Energy	-1148.508098
Nuclear repulsion energy	448.905752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3293	3084	0.00
2	A_g	1660	1554	0.00
3	A_g	1223	1145	0.00
4	A_g	1143	1071	0.00
5	A_g	772	723	0.00
6	A_g	335	314	0.00
7	A_u	903	845	0.00
8	A_u	403	377	0.00
9	B_1g	815	763	0.00
10	B_1u	3278	3070	0.99
11	B_1u	1538	1441	95.67
12	B_1u	1144	1071	93.32
13	B_1u	1030	964	52.51
14	B_1u	567	531	23.32
15	B_2g	878	822	0.00
16	B_2g	459	430	0.00
17	B_2g	294	275	0.00
18	B_2u	3292	3083	1.56
19	B_2u	1480	1386	1.56
20	B_2u	1422	1331	3.97
21	B_2u	1145	1073	4.28
22	B_2u	224	210	0.95
23	B_3g	3279	3071	0.00
24	B_3g	1645	1541	0.00
25	B_3g	1333	1249	0.00
26	B_3g	640	600	0.00
27	B_3g	359	336	0.00
28	B_3u	787	737	58.19
29	B_3u	469	440	10.30
30	B_3u	101	95	0.56

Atom	y (Å)	z (Å)
C1	0.000	1.386
C2	0.000	-1.386
C3	1.213	0.697
C4	-1.213	0.697
C5	-1.213	-0.697
C6	1.213	-0.697
Cl7	0.000	3.124
Cl8	0.000	-3.124
H9	2.146	1.243
H10	-2.146	1.243
H11	-2.146	-1.243
H12	2.146	-1.243

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7727	1.3949	1.3949	2.4105	2.4105	1.7380	4.5107	2.1508	2.1508	3.3940	3.3940
C2	2.7727		2.4105	2.4105	1.3949	1.3949	4.5107	1.7380	3.3940	3.3940	2.1508	2.1508
C3	1.3949	2.4105		2.4252	2.7972	1.3939	2.7134	4.0091	1.0814	3.4027	3.8786	2.1529
C4	1.3949	2.4105	2.4252		1.3939	2.7972	2.7134	4.0091	3.4027	1.0814	2.1529	3.8786
C5	2.4105	1.3949	2.7972	1.3939		2.4252	4.0091	2.7134	3.8786	2.1529	1.0814	3.4027
C6	2.4105	1.3949	1.3939	2.7972	2.4252		4.0091	2.7134	2.1529	3.8786	3.4027	1.0814
Cl7	1.7380	4.5107	2.7134	2.7134	4.0091	4.0091		6.2487	2.8539	2.8539	4.8662	4.8662
Cl8	4.5107	1.7380	4.0091	4.0091	2.7134	2.7134	6.2487		4.8662	4.8662	2.8539	2.8539
H9	2.1508	3.3940	1.0814	3.4027	3.8786	2.1529	2.8539	4.8662		4.2920	4.9600	2.4861
H10	2.1508	3.3940	3.4027	1.0814	2.1529	3.8786	2.8539	4.8662	4.2920		2.4861	4.9600
H11	3.3940	2.1508	3.8786	2.1529	1.0814	3.4027	4.8662	2.8539	4.9600	2.4861		4.2920
H12	3.3940	2.1508	2.1529	3.8786	3.4027	1.0814	4.8662	2.8539	2.4861	4.9600	4.2920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.620	C1	C3	H9	120.049
C1	C4	C5	119.620	C1	C4	H10	120.049
C2	C5	C4	119.620	C2	C5	H11	120.049
C2	C6	C3	119.620	C2	C6	H12	120.049
C3	C1	C4	120.760	C3	C1	Cl7	119.620
C3	C6	H12	120.331	C4	C1	Cl7	119.620
C4	C5	H11	120.331	C5	C2	C6	120.760
C5	C2	Cl8	119.620	C5	C4	H10	120.331
C6	C2	Cl8	119.620	C6	C3	H9	120.331

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

using model chemistry: MP2/6-31G**

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**

States and conformations

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