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	hartrees
Energy at 0K	-1150.630293
Energy at 298.15K	-1150.634427
HF Energy	-1150.416964
Nuclear repulsion energy	440.748395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3262	3262	0.00
2	A_g	1626	1626	0.00
3	A_g	1236	1236	0.00
4	A_g	1106	1106	0.00
5	A_g	747	747	0.00
6	A_g	320	320	0.00
7	A_u	977	977	0.00
8	A_u	429	429	0.00
9	B_1g	850	850	0.00
10	B_1u	3244	3244	0.32
11	B_1u	1536	1536	89.31
12	B_1u	1115	1115	81.61
13	B_1u	1044	1044	96.68
14	B_1u	512	512	37.44
15	B_2g	955	955	0.00
16	B_2g	695	695	0.00
17	B_2g	295	295	0.00
18	B_2u	3259	3259	1.96
19	B_2u	1437	1437	7.06
20	B_2u	1361	1361	1.19
21	B_2u	1151	1151	4.12
22	B_2u	210	210	1.96
23	B_3g	3245	3245	0.00
24	B_3g	1638	1638	0.00
25	B_3g	1361	1361	0.00
26	B_3g	655	655	0.00
27	B_3g	345	345	0.00
28	B_3u	848	848	70.89
29	B_3u	502	502	20.40
30	B_3u	100	100	1.19

Atom	y (Å)	z (Å)
C1	0.000	1.380
C2	0.000	-1.380
C3	1.220	0.702
C4	-1.220	0.702
C5	-1.220	-0.702
C6	1.220	-0.702
Cl7	0.000	3.207
Cl8	0.000	-3.207
H9	2.154	1.250
H10	-2.154	1.250
H11	-2.154	-1.250
H12	2.154	-1.250

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7607	1.3962	1.3962	2.4133	2.4133	1.8265	4.5872	2.1581	2.1581	3.3999	3.3999
C2	2.7607		2.4133	2.4133	1.3962	1.3962	4.5872	1.8265	3.3999	3.3999	2.1581	2.1581
C3	1.3962	2.4133		2.4403	2.8150	1.4035	2.7865	4.0946	1.0831	3.4186	3.8981	2.1637
C4	1.3962	2.4133	2.4403		1.4035	2.8150	2.7865	4.0946	3.4186	1.0831	2.1637	3.8981
C5	2.4133	1.3962	2.8150	1.4035		2.4403	4.0946	2.7865	3.8981	2.1637	1.0831	3.4186
C6	2.4133	1.3962	1.4035	2.8150	2.4403		4.0946	2.7865	2.1637	3.8981	3.4186	1.0831
Cl7	1.8265	4.5872	2.7865	2.7865	4.0946	4.0946		6.4138	2.9103	2.9103	4.9502	4.9502
Cl8	4.5872	1.8265	4.0946	4.0946	2.7865	2.7865	6.4138		4.9502	4.9502	2.9103	2.9103
H9	2.1581	3.3999	1.0831	3.4186	3.8981	2.1637	2.9103	4.9502		4.3084	4.9812	2.5001
H10	2.1581	3.3999	3.4186	1.0831	2.1637	3.8981	2.9103	4.9502	4.3084		2.5001	4.9812
H11	3.3999	2.1581	3.8981	2.1637	1.0831	3.4186	4.9502	2.9103	4.9812	2.5001		4.3084
H12	3.3999	2.1581	2.1637	3.8981	3.4186	1.0831	4.9502	2.9103	2.5001	4.9812	4.3084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.083	C1	C3	H9	120.504
C1	C4	C5	119.083	C1	C4	H10	120.504
C2	C5	C4	119.083	C2	C5	H11	120.504
C2	C6	C3	119.083	C2	C6	H12	120.504
C3	C1	C4	121.834	C3	C1	Cl7	119.083
C3	C6	H12	120.413	C4	C1	Cl7	119.083
C4	C5	H11	120.413	C5	C2	C6	121.834
C5	C2	Cl8	119.083	C5	C4	H10	120.413
C6	C2	Cl8	119.083	C6	C3	H9	120.413

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G

States and conformations

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