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	hartrees
Energy at 0K	-1149.641949
Energy at 298.15K	-1149.646104
HF Energy	-1148.508627
Nuclear repulsion energy	449.481287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3322	3322	0.00
2	A_g	1703	1703	0.00
3	A_g	1238	1238	0.00
4	A_g	1160	1160	0.00
5	A_g	783	783	0.00
6	A_g	339	339	0.00
7	A_u	949	949	0.00
8	A_u	415	415	0.00
9	B_1g	847	847	0.00
10	B_1u	3306	3306	1.79
11	B_1u	1573	1573	95.47
12	B_1u	1160	1160	88.51
13	B_1u	1045	1045	50.22
14	B_1u	570	570	23.55
15	B_2g	910	910	0.00
16	B_2g	558	558	0.00
17	B_2g	302	302	0.00
18	B_2u	3320	3320	2.97
19	B_2u	1475	1475	5.92
20	B_2u	1282	1282	0.05
21	B_2u	1158	1158	3.51
22	B_2u	226	226	1.01
23	B_3g	3307	3307	0.00
24	B_3g	1680	1680	0.00
25	B_3g	1357	1357	0.00
26	B_3g	652	652	0.00
27	B_3g	364	364	0.00
28	B_3u	825	825	56.04
29	B_3u	490	490	11.80
30	B_3u	104	104	0.62

Atom	y (Å)	z (Å)
C1	0.000	1.383
C2	0.000	-1.383
C3	1.210	0.696
C4	-1.210	0.696
C5	-1.210	-0.696
C6	1.210	-0.696
Cl7	0.000	3.123
Cl8	0.000	-3.123
H9	2.140	1.240
H10	-2.140	1.240
H11	-2.140	-1.240
H12	2.140	-1.240

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7657	1.3911	1.3911	2.4049	2.4049	1.7397	4.5054	2.1446	2.1446	3.3852	3.3852
C2	2.7657		2.4049	2.4049	1.3911	1.3911	4.5054	1.7397	3.3852	3.3852	2.1446	2.1446
C3	1.3911	2.4049		2.4192	2.7908	1.3914	2.7116	4.0052	1.0779	3.3934	3.8686	2.1478
C4	1.3911	2.4049	2.4192		1.3914	2.7908	2.7116	4.0052	3.3934	1.0779	2.1478	3.8686
C5	2.4049	1.3911	2.7908	1.3914		2.4192	4.0052	2.7116	3.8686	2.1478	1.0779	3.3934
C6	2.4049	1.3911	1.3914	2.7908	2.4192		4.0052	2.7116	2.1478	3.8686	3.3934	1.0779
Cl7	1.7397	4.5054	2.7116	2.7116	4.0052	4.0052		6.2451	2.8499	2.8499	4.8593	4.8593
Cl8	4.5054	1.7397	4.0052	4.0052	2.7116	2.7116	6.2451		4.8593	4.8593	2.8499	2.8499
H9	2.1446	3.3852	1.0779	3.3934	3.8686	2.1478	2.8499	4.8593		4.2796	4.9465	2.4805
H10	2.1446	3.3852	3.3934	1.0779	2.1478	3.8686	2.8499	4.8593	4.2796		2.4805	4.9465
H11	3.3852	2.1446	3.8686	2.1478	1.0779	3.3934	4.8593	2.8499	4.9465	2.4805		4.2796
H12	3.3852	2.1446	2.1478	3.8686	3.3934	1.0779	4.8593	2.8499	2.4805	4.9465	4.2796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.600	C1	C3	H9	120.054
C1	C4	C5	119.600	C1	C4	H10	120.054
C2	C5	C4	119.600	C2	C5	H11	120.054
C2	C6	C3	119.600	C2	C6	H12	120.054
C3	C1	C4	120.799	C3	C1	Cl7	119.600
C3	C6	H12	120.346	C4	C1	Cl7	119.600
C4	C5	H11	120.346	C5	C2	C6	120.799
C5	C2	Cl8	119.600	C5	C4	H10	120.346
C6	C2	Cl8	119.600	C6	C3	H9	120.346

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

using model chemistry: MP3=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: MP3=FULL/6-31G**

States and conformations

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