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	hartrees
Energy at 0K	-1149.941723
Energy at 298.15K	-1149.945798
HF Energy	-1148.595636
Nuclear repulsion energy	449.063202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3274	3274	0.00
2	A_g	1675	1675	0.00
3	A_g	1215	1215	0.00
4	A_g	1152	1152	0.00
5	A_g	777	777	0.00
6	A_g	338	338	0.00
7	A_u	948	948	0.00
8	A_u	413	413	0.00
9	B_1g	837	837	0.00
10	B_1u	3258	3258	1.47
11	B_1u	1546	1546	104.23
12	B_1u	1148	1148	98.45
13	B_1u	1033	1033	50.89
14	B_1u	571	571	22.81
15	B_2g	899	899	0.00
16	B_2g	486	486	0.00
17	B_2g	296	296	0.00
18	B_2u	3272	3272	2.38
19	B_2u	1450	1450	6.21
20	B_2u	1257	1257	0.01
21	B_2u	1137	1137	3.24
22	B_2u	222	222	0.46
23	B_3g	3258	3258	0.00
24	B_3g	1656	1656	0.00
25	B_3g	1334	1334	0.00
26	B_3g	647	647	0.00
27	B_3g	358	358	0.00
28	B_3u	810	810	55.95
29	B_3u	475	475	21.18
30	B_3u	103	103	0.35

Atom	y (Å)	z (Å)
C1	0.000	1.387
C2	0.000	-1.387
C3	1.211	0.697
C4	-1.211	0.697
C5	-1.211	-0.697
C6	1.211	-0.697
Cl7	0.000	3.124
Cl8	0.000	-3.124
H9	2.145	1.244
H10	-2.145	1.244
H11	-2.145	-1.244
H12	2.145	-1.244

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7734	1.3936	1.3936	2.4103	2.4103	1.7370	4.5104	2.1499	2.1499	3.3948	3.3948
C2	2.7734		2.4103	2.4103	1.3936	1.3936	4.5104	1.7370	3.3948	3.3948	2.1499	2.1499
C3	1.3936	2.4103		2.4223	2.7950	1.3945	2.7119	4.0083	1.0826	3.4007	3.8776	2.1547
C4	1.3936	2.4103	2.4223		1.3945	2.7950	2.7119	4.0083	3.4007	1.0826	2.1547	3.8776
C5	2.4103	1.3936	2.7950	1.3945		2.4223	4.0083	2.7119	3.8776	2.1547	1.0826	3.4007
C6	2.4103	1.3936	1.3945	2.7950	2.4223		4.0083	2.7119	2.1547	3.8776	3.4007	1.0826
Cl7	1.7370	4.5104	2.7119	2.7119	4.0083	4.0083		6.2474	2.8519	2.8519	4.8665	4.8665
Cl8	4.5104	1.7370	4.0083	4.0083	2.7119	2.7119	6.2474		4.8665	4.8665	2.8519	2.8519
H9	2.1499	3.3948	1.0826	3.4007	3.8776	2.1547	2.8519	4.8665		4.2904	4.9601	2.4890
H10	2.1499	3.3948	3.4007	1.0826	2.1547	3.8776	2.8519	4.8665	4.2904		2.4890	4.9601
H11	3.3948	2.1499	3.8776	2.1547	1.0826	3.4007	4.8665	2.8519	4.9601	2.4890		4.2904
H12	3.3948	2.1499	2.1547	3.8776	3.4007	1.0826	4.8665	2.8519	2.4890	4.9601	4.2904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.650	C1	C3	H9	119.985
C1	C4	C5	119.650	C1	C4	H10	119.985
C2	C5	C4	119.650	C2	C5	H11	119.985
C2	C6	C3	119.650	C2	C6	H12	119.985
C3	C1	C4	120.699	C3	C1	Cl7	119.650
C3	C6	H12	120.365	C4	C1	Cl7	119.650
C4	C5	H11	120.365	C5	C2	C6	120.699
C5	C2	Cl8	119.650	C5	C4	H10	120.365
C6	C2	Cl8	119.650	C6	C3	H9	120.365

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

using model chemistry: MP3=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: MP3=FULL/6-311G**

States and conformations

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