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	hartrees
Energy at 0K	-1143.915809
Energy at 298.15K	-1143.920014
HF Energy	-1143.058075
Nuclear repulsion energy	445.909807

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	1622	1622	0.00
3	A_g	1252	1252	0.00
4	A_g	1113	1113	0.00
5	A_g	772	772	0.00
6	A_g	335	335	0.00
7	A_u	950	950	0.00
8	A_u	425	425	0.00
9	B_1g	842	842	0.00
10	B_1u	3219	3219	0.52
11	B_1u	1547	1547	80.50
12	B_1u	1135	1135	108.38
13	B_1u	1066	1066	22.39
14	B_1u	544	544	28.19
15	B_2g	917	917	0.00
16	B_2g	678	678	0.00
17	B_2g	305	305	0.00
18	B_2u	3233	3233	0.91
19	B_2u	1446	1446	9.57
20	B_2u	1181	1181	1.81
21	B_2u	1149	1149	1.49
22	B_2u	223	223	1.23
23	B_3g	3219	3219	0.00
24	B_3g	1602	1602	0.00
25	B_3g	1377	1377	0.00
26	B_3g	673	673	0.00
27	B_3g	363	363	0.00
28	B_3u	832	832	74.36
29	B_3u	495	495	21.67
30	B_3u	105	105	0.59

Atom	y (Å)	z (Å)
C1	0.000	1.390
C2	0.000	-1.390
C3	1.218	0.701
C4	-1.218	0.701
C5	-1.218	-0.701
C6	1.218	-0.701
Cl7	0.000	3.150
Cl8	0.000	-3.150
H9	2.153	1.251
H10	-2.153	1.251
H11	-2.153	-1.251
H12	2.153	-1.251

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7796	1.3989	1.3989	2.4195	2.4195	1.7602	4.5398	2.1575	2.1575	3.4071	3.4071
C2	2.7796		2.4195	2.4195	1.3989	1.3989	4.5398	1.7602	3.4071	3.4071	2.1575	2.1575
C3	1.3989	2.4195		2.4352	2.8100	1.4020	2.7350	4.0389	1.0851	3.4151	3.8950	2.1645
C4	1.3989	2.4195	2.4352		1.4020	2.8100	2.7350	4.0389	3.4151	1.0851	2.1645	3.8950
C5	2.4195	1.3989	2.8100	1.4020		2.4352	4.0389	2.7350	3.8950	2.1645	1.0851	3.4151
C6	2.4195	1.3989	1.4020	2.8100	2.4352		4.0389	2.7350	2.1645	3.8950	3.4151	1.0851
Cl7	1.7602	4.5398	2.7350	2.7350	4.0389	4.0389		6.3000	2.8709	2.8709	4.8993	4.8993
Cl8	4.5398	1.7602	4.0389	4.0389	2.7350	2.7350	6.3000		4.8993	4.8993	2.8709	2.8709
H9	2.1575	3.4071	1.0851	3.4151	3.8950	2.1645	2.8709	4.8993		4.3060	4.9800	2.5018
H10	2.1575	3.4071	3.4151	1.0851	2.1645	3.8950	2.8709	4.8993	4.3060		2.5018	4.9800
H11	3.4071	2.1575	3.8950	2.1645	1.0851	3.4151	4.8993	2.8709	4.9800	2.5018		4.3060
H12	3.4071	2.1575	2.1645	3.8950	3.4151	1.0851	4.8993	2.8709	2.5018	4.9800	4.3060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.496	C1	C3	H9	120.055
C1	C4	C5	119.496	C1	C4	H10	120.055
C2	C5	C4	119.496	C2	C5	H11	120.055
C2	C6	C3	119.496	C2	C6	H12	120.055
C3	C1	C4	121.008	C3	C1	Cl7	119.496
C3	C6	H12	120.449	C4	C1	Cl7	119.496
C4	C5	H11	120.449	C5	C2	C6	121.008
C5	C2	Cl8	119.496	C5	C4	H10	120.449
C6	C2	Cl8	119.496	C6	C3	H9	120.449

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

using model chemistry: MP3=FULL/3-21G*

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/3-21G*

States and conformations

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