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	hartrees
Energy at 0K	-1149.874133
Energy at 298.15K	-1149.878006
HF Energy	-1148.587731
Nuclear repulsion energy	449.027323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3243	3072	0.00
2	A_g	1638	1552	0.00
3	A_g	1212	1148	0.00
4	A_g	1138	1078	0.00
5	A_g	768	727	0.00
6	A_g	335	317	0.00
7	A_u	875	829	0.00
8	A_u	404	383	0.00
9	B_1g	797	755	0.00
10	B_1u	3229	3058	1.03
11	B_1u	1521	1441	111.45
12	B_1u	1136	1075	94.84
13	B_1u	1024	970	56.90
14	B_1u	569	539	22.67
15	B_2g	850	805	0.00
16	B_2g	409	387	0.00
17	B_2g	289	274	0.00
18	B_2u	3242	3071	1.92
19	B_2u	1470	1392	1.77
20	B_2u	1410	1335	5.68
21	B_2u	1135	1075	4.70
22	B_2u	222	210	0.45
23	B_3g	3230	3059	0.00
24	B_3g	1625	1539	0.00
25	B_3g	1322	1252	0.00
26	B_3g	637	603	0.00
27	B_3g	356	337	0.00
28	B_3u	768	727	69.88
29	B_3u	459	434	21.28
30	B_3u	100	95	0.29

Atom	y (Å)	z (Å)
C1	0.000	1.388
C2	0.000	-1.388
C3	1.213	0.698
C4	-1.213	0.698
C5	-1.213	-0.698
C6	1.213	-0.698
Cl7	0.000	3.122
Cl8	0.000	-3.122
H9	2.149	1.246
H10	-2.149	1.246
H11	-2.149	-1.246
H12	2.149	-1.246

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7757	1.3956	1.3956	2.4125	2.4125	1.7337	4.5094	2.1540	2.1540	3.3998	3.3998
C2	2.7757		2.4125	2.4125	1.3956	1.3956	4.5094	1.7337	3.3998	3.3998	2.1540	2.1540
C3	1.3956	2.4125		2.4259	2.7984	1.3951	2.7105	4.0071	1.0854	3.4067	3.8838	2.1577
C4	1.3956	2.4125	2.4259		1.3951	2.7984	2.7105	4.0071	3.4067	1.0854	2.1577	3.8838
C5	2.4125	1.3956	2.7984	1.3951		2.4259	4.0071	2.7105	3.8838	2.1577	1.0854	3.4067
C6	2.4125	1.3956	1.3951	2.7984	2.4259		4.0071	2.7105	2.1577	3.8838	3.4067	1.0854
Cl7	1.7337	4.5094	2.7105	2.7105	4.0071	4.0071		6.2431	2.8523	2.8523	4.8681	4.8681
Cl8	4.5094	1.7337	4.0071	4.0071	2.7105	2.7105	6.2431		4.8681	4.8681	2.8523	2.8523
H9	2.1540	3.3998	1.0854	3.4067	3.8838	2.1577	2.8523	4.8681		4.2986	4.9691	2.4928
H10	2.1540	3.3998	3.4067	1.0854	2.1577	3.8838	2.8523	4.8681	4.2986		2.4928	4.9691
H11	3.3998	2.1540	3.8838	2.1577	1.0854	3.4067	4.8681	2.8523	4.9691	2.4928		4.2986
H12	3.3998	2.1540	2.1577	3.8838	3.4067	1.0854	4.8681	2.8523	2.4928	4.9691	4.2986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.646	C1	C3	H9	119.978
C1	C4	C5	119.646	C1	C4	H10	119.978
C2	C5	C4	119.646	C2	C5	H11	119.978
C2	C6	C3	119.646	C2	C6	H12	119.978
C3	C1	C4	120.708	C3	C1	Cl7	119.646
C3	C6	H12	120.376	C4	C1	Cl7	119.646
C4	C5	H11	120.376	C5	C2	C6	120.708
C5	C2	Cl8	119.646	C5	C4	H10	120.376
C6	C2	Cl8	119.646	C6	C3	H9	120.376

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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