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	hartrees
Energy at 0K	-1151.034393
Energy at 298.15K	-1151.038499
HF Energy	-1150.615258
Nuclear repulsion energy	448.419395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3236	3236	0.00
2	A_g	1631	1631	0.00
3	A_g	1210	1210	0.00
4	A_g	1116	1116	0.00
5	A_g	760	760	0.00
6	A_g	332	332	0.00
7	A_u	935	935	0.00
8	A_u	417	417	0.00
9	B_1g	816	816	0.00
10	B_1u	3221	3221	2.18
11	B_1u	1522	1522	109.01
12	B_1u	1117	1117	109.55
13	B_1u	1029	1029	62.64
14	B_1u	551	551	33.97
15	B_2g	909	909	0.00
16	B_2g	636	636	0.00
17	B_2g	292	292	0.00
18	B_2u	3234	3234	4.69
19	B_2u	1434	1434	7.33
20	B_2u	1336	1336	0.00
21	B_2u	1135	1135	4.03
22	B_2u	221	221	0.57
23	B_3g	3222	3222	0.00
24	B_3g	1623	1623	0.00
25	B_3g	1330	1330	0.00
26	B_3g	642	642	0.00
27	B_3g	358	358	0.00
28	B_3u	807	807	60.93
29	B_3u	484	484	24.56
30	B_3u	101	101	0.41

Atom	y (Å)	z (Å)
C1	0.000	1.383
C2	0.000	-1.383
C3	1.211	0.697
C4	-1.211	0.697
C5	-1.211	-0.697
C6	1.211	-0.697
Cl7	0.000	3.131
Cl8	0.000	-3.131
H9	2.146	1.243
H10	-2.146	1.243
H11	-2.146	-1.243
H12	2.146	-1.243

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7659	1.3924	1.3924	2.4066	2.4066	1.7479	4.5138	2.1505	2.1505	3.3913	3.3913
C2	2.7659		2.4066	2.4066	1.3924	1.3924	4.5138	1.7479	3.3913	3.3913	2.1505	2.1505
C3	1.3924	2.4066		2.4229	2.7948	1.3931	2.7191	4.0146	1.0826	3.4016	3.8774	2.1530
C4	1.3924	2.4066	2.4229		1.3931	2.7948	2.7191	4.0146	3.4016	1.0826	2.1530	3.8774
C5	2.4066	1.3924	2.7948	1.3931		2.4229	4.0146	2.7191	3.8774	2.1530	1.0826	3.4016
C6	2.4066	1.3924	1.3931	2.7948	2.4229		4.0146	2.7191	2.1530	3.8774	3.4016	1.0826
Cl7	1.7479	4.5138	2.7191	2.7191	4.0146	4.0146		6.2618	2.8581	2.8581	4.8720	4.8720
Cl8	4.5138	1.7479	4.0146	4.0146	2.7191	2.7191	6.2618		4.8720	4.8720	2.8581	2.8581
H9	2.1505	3.3913	1.0826	3.4016	3.8774	2.1530	2.8581	4.8720		4.2918	4.9600	2.4862
H10	2.1505	3.3913	3.4016	1.0826	2.1530	3.8774	2.8581	4.8720	4.2918		2.4862	4.9600
H11	3.3913	2.1505	3.8774	2.1530	1.0826	3.4016	4.8720	2.8581	4.9600	2.4862		4.2918
H12	3.3913	2.1505	2.1530	3.8774	3.4016	1.0826	4.8720	2.8581	2.4862	4.9600	4.2918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.536	C1	C3	H9	120.141
C1	C4	C5	119.536	C1	C4	H10	120.141
C2	C5	C4	119.536	C2	C5	H11	120.141
C2	C6	C3	119.536	C2	C6	H12	120.141
C3	C1	C4	120.928	C3	C1	Cl7	119.536
C3	C6	H12	120.323	C4	C1	Cl7	119.536
C4	C5	H11	120.323	C5	C2	C6	120.928
C5	C2	Cl8	119.536	C5	C4	H10	120.323
C6	C2	Cl8	119.536	C6	C3	H9	120.323

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G*

States and conformations

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