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	hartrees
Energy at 0K	-1149.611520
Energy at 298.15K	-1149.615625
HF Energy	-1148.558694
Nuclear repulsion energy	446.306635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3256	3101	0.00
2	A_g	1636	1558	0.00
3	A_g	1187	1131	0.00
4	A_g	1134	1081	0.00
5	A_g	760	723	0.00
6	A_g	332	316	0.00
7	A_u	943	898	0.00
8	A_u	409	389	0.00
9	B_1g	824	785	0.00
10	B_1u	3240	3086	0.70
11	B_1u	1504	1433	100.44
12	B_1u	1125	1072	87.53
13	B_1u	1019	971	42.97
14	B_1u	564	537	23.31
15	B_2g	914	870	0.00
16	B_2g	605	576	0.00
17	B_2g	296	282	0.00
18	B_2u	3255	3100	0.70
19	B_2u	1480	1410	0.21
20	B_2u	1402	1335	5.27
21	B_2u	1114	1061	7.07
22	B_2u	220	210	0.83
23	B_3g	3242	3088	0.00
24	B_3g	1624	1547	0.00
25	B_3g	1297	1235	0.00
26	B_3g	630	600	0.00
27	B_3g	351	334	0.00
28	B_3u	813	774	48.85
29	B_3u	480	457	15.39
30	B_3u	102	97	0.36

Atom	y (Å)	z (Å)
C1	0.000	1.396
C2	0.000	-1.396
C3	1.221	0.702
C4	-1.221	0.702
C5	-1.221	-0.702
C6	1.221	-0.702
Cl7	0.000	3.140
Cl8	0.000	-3.140
H9	2.164	1.255
H10	-2.164	1.255
H11	-2.164	-1.255
H12	2.164	-1.255

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7919	1.4042	1.4042	2.4269	2.4269	1.7441	4.5359	2.1688	2.1688	3.4219	3.4219
C2	2.7919		2.4269	2.4269	1.4042	1.4042	4.5359	1.7441	3.4219	3.4219	2.1688	2.1688
C3	1.4042	2.4269		2.4411	2.8158	1.4034	2.7268	4.0309	1.0937	3.4296	3.9094	2.1720
C4	1.4042	2.4269	2.4411		1.4034	2.8158	2.7268	4.0309	3.4296	1.0937	2.1720	3.9094
C5	2.4269	1.4042	2.8158	1.4034		2.4411	4.0309	2.7268	3.9094	2.1720	1.0937	3.4296
C6	2.4269	1.4042	1.4034	2.8158	2.4411		4.0309	2.7268	2.1720	3.9094	3.4296	1.0937
Cl7	1.7441	4.5359	2.7268	2.7268	4.0309	4.0309		6.2800	2.8702	2.8702	4.8986	4.8986
Cl8	4.5359	1.7441	4.0309	4.0309	2.7268	2.7268	6.2800		4.8986	4.8986	2.8702	2.8702
H9	2.1688	3.4219	1.0937	3.4296	3.9094	2.1720	2.8702	4.8986		4.3283	5.0031	2.5093
H10	2.1688	3.4219	3.4296	1.0937	2.1720	3.9094	2.8702	4.8986	4.3283		2.5093	5.0031
H11	3.4219	2.1688	3.9094	2.1720	1.0937	3.4296	4.8986	2.8702	5.0031	2.5093		4.3283
H12	3.4219	2.1688	2.1720	3.9094	3.4296	1.0937	4.8986	2.8702	2.5093	5.0031	4.3283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.631	C1	C3	H9	119.999
C1	C4	C5	119.631	C1	C4	H10	119.999
C2	C5	C4	119.631	C2	C5	H11	119.999
C2	C6	C3	119.631	C2	C6	H12	119.999
C3	C1	C4	120.739	C3	C1	Cl7	119.631
C3	C6	H12	120.370	C4	C1	Cl7	119.631
C4	C5	H11	120.370	C5	C2	C6	120.739
C5	C2	Cl8	119.631	C5	C4	H10	120.370
C6	C2	Cl8	119.631	C6	C3	H9	120.370

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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