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	hartrees
Energy at 0K	-1149.604656
Energy at 298.15K	-1149.608691
HF Energy	-1148.508339
Nuclear repulsion energy	449.428631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3296	3079	0.00
2	A_g	1664	1554	0.00
3	A_g	1225	1145	0.00
4	A_g	1146	1071	0.00
5	A_g	773	723	0.00
6	A_g	336	314	0.00
7	A_u	915	855	0.00
8	A_u	408	381	0.00
9	B_1g	823	769	0.00
10	B_1u	3281	3065	1.00
11	B_1u	1542	1441	96.16
12	B_1u	1147	1071	92.88
13	B_1u	1032	965	51.73
14	B_1u	569	531	23.20
15	B_2g	887	828	0.00
16	B_2g	497	464	0.00
17	B_2g	297	277	0.00
18	B_2u	3294	3078	1.52
19	B_2u	1483	1386	1.61
20	B_2u	1424	1331	3.97
21	B_2u	1148	1072	4.33
22	B_2u	225	210	0.92
23	B_3g	3282	3067	0.00
24	B_3g	1648	1540	0.00
25	B_3g	1337	1249	0.00
26	B_3g	642	600	0.00
27	B_3g	361	337	0.00
28	B_3u	798	745	57.50
29	B_3u	477	446	10.88
30	B_3u	102	96	0.56

Atom	y (Å)	z (Å)
C1	0.000	1.385
C2	0.000	-1.385
C3	1.211	0.696
C4	-1.211	0.696
C5	-1.211	-0.696
C6	1.211	-0.696
Cl7	0.000	3.121
Cl8	0.000	-3.121
H9	2.143	1.242
H10	-2.143	1.242
H11	-2.143	-1.242
H12	2.143	-1.242

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7703	1.3933	1.3933	2.4079	2.4079	1.7357	4.5060	2.1483	2.1483	3.3904	3.3904
C2	2.7703		2.4079	2.4079	1.3933	1.3933	4.5060	1.7357	3.3904	3.3904	2.1483	2.1483
C3	1.3933	2.4079		2.4219	2.7935	1.3922	2.7103	4.0045	1.0804	3.3985	3.8739	2.1506
C4	1.3933	2.4079	2.4219		1.3922	2.7935	2.7103	4.0045	3.3985	1.0804	2.1506	3.8739
C5	2.4079	1.3933	2.7935	1.3922		2.4219	4.0045	2.7103	3.8739	2.1506	1.0804	3.3985
C6	2.4079	1.3933	1.3922	2.7935	2.4219		4.0045	2.7103	2.1506	3.8739	3.3985	1.0804
Cl7	1.7357	4.5060	2.7103	2.7103	4.0045	4.0045		6.2418	2.8505	2.8505	4.8608	4.8608
Cl8	4.5060	1.7357	4.0045	4.0045	2.7103	2.7103	6.2418		4.8608	4.8608	2.8505	2.8505
H9	2.1483	3.3904	1.0804	3.3985	3.8739	2.1506	2.8505	4.8608		4.2869	4.9544	2.4835
H10	2.1483	3.3904	3.3985	1.0804	2.1506	3.8739	2.8505	4.8608	4.2869		2.4835	4.9544
H11	3.3904	2.1483	3.8739	2.1506	1.0804	3.3985	4.8608	2.8505	4.9544	2.4835		4.2869
H12	3.3904	2.1483	2.1506	3.8739	3.3985	1.0804	4.8608	2.8505	2.4835	4.9544	4.2869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.640	C1	C3	H9	120.026
C1	C4	C5	119.640	C1	C4	H10	120.026
C2	C5	C4	119.640	C2	C5	H11	120.026
C2	C6	C3	119.640	C2	C6	H12	120.026
C3	C1	C4	120.719	C3	C1	Cl7	119.640
C3	C6	H12	120.334	C4	C1	Cl7	119.640
C4	C5	H11	120.334	C5	C2	C6	120.719
C5	C2	Cl8	119.640	C5	C4	H10	120.334
C6	C2	Cl8	119.640	C6	C3	H9	120.334

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

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

States and conformations

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