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	hartrees
Energy at 0K	-1143.503442
Energy at 298.15K	-1143.507615
HF Energy	-1142.843329
Nuclear repulsion energy	440.123801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3245	3245	0.00
2	A_g	1618	1618	0.00
3	A_g	1252	1252	0.00
4	A_g	1111	1111	0.00
5	A_g	755	755	0.00
6	A_g	322	322	0.00
7	A_u	975	975	0.00
8	A_u	433	433	0.00
9	B_1g	859	859	0.00
10	B_1u	3228	3228	0.04
11	B_1u	1552	1552	75.20
12	B_1u	1126	1126	87.49
13	B_1u	1067	1067	60.68
14	B_1u	511	511	25.62
15	B_2g	944	944	0.00
16	B_2g	713	713	0.00
17	B_2g	304	304	0.00
18	B_2u	3242	3242	0.22
19	B_2u	1443	1443	9.04
20	B_2u	1203	1203	3.51
21	B_2u	1143	1143	1.12
22	B_2u	203	203	1.88
23	B_3g	3228	3228	0.00
24	B_3g	1620	1620	0.00
25	B_3g	1381	1381	0.00
26	B_3g	671	671	0.00
27	B_3g	337	337	0.00
28	B_3u	856	856	73.67
29	B_3u	506	506	26.72
30	B_3u	103	103	1.01

Atom	y (Å)	z (Å)
C1	0.000	1.378
C2	0.000	-1.378
C3	1.218	0.702
C4	-1.218	0.702
C5	-1.218	-0.702
C6	1.218	-0.702
Cl7	0.000	3.216
Cl8	0.000	-3.216
H9	2.151	1.255
H10	-2.151	1.255
H11	-2.151	-1.255
H12	2.151	-1.255

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7556	1.3932	1.3932	2.4101	2.4101	1.8384	4.5940	2.1545	2.1545	3.3995	3.3995
C2	2.7556		2.4101	2.4101	1.3932	1.3932	4.5940	1.8384	3.3995	3.3995	2.1545	2.1545
C3	1.3932	2.4101		2.4364	2.8118	1.4036	2.7940	4.1030	1.0843	3.4143	3.8961	2.1674
C4	1.3932	2.4101	2.4364		1.4036	2.8118	2.7940	4.1030	3.4143	1.0843	2.1674	3.8961
C5	2.4101	1.3932	2.8118	1.4036		2.4364	4.1030	2.7940	3.8961	2.1674	1.0843	3.4143
C6	2.4101	1.3932	1.4036	2.8118	2.4364		4.1030	2.7940	2.1674	3.8961	3.4143	1.0843
Cl7	1.8384	4.5940	2.7940	2.7940	4.1030	4.1030		6.4324	2.9111	2.9111	4.9614	4.9614
Cl8	4.5940	1.8384	4.1030	4.1030	2.7940	2.7940	6.4324		4.9614	4.9614	2.9111	2.9111
H9	2.1545	3.3995	1.0843	3.4143	3.8961	2.1674	2.9111	4.9614		4.3020	4.9803	2.5093
H10	2.1545	3.3995	3.4143	1.0843	2.1674	3.8961	2.9111	4.9614	4.3020		2.5093	4.9803
H11	3.3995	2.1545	3.8961	2.1674	1.0843	3.4143	4.9614	2.9111	4.9803	2.5093		4.3020
H12	3.3995	2.1545	2.1674	3.8961	3.4143	1.0843	4.9614	2.9111	2.5093	4.9803	4.3020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.026	C1	C3	H9	120.320
C1	C4	C5	119.026	C1	C4	H10	120.320
C2	C5	C4	119.026	C2	C5	H11	120.320
C2	C6	C3	119.026	C2	C6	H12	120.320
C3	C1	C4	121.948	C3	C1	Cl7	119.026
C3	C6	H12	120.654	C4	C1	Cl7	119.026
C4	C5	H11	120.654	C5	C2	C6	121.948
C5	C2	Cl8	119.026	C5	C4	H10	120.654
C6	C2	Cl8	119.026	C6	C3	H9	120.654

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)