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	hartrees
Energy at 0K	-1149.329369
Energy at 298.15K	-1149.333780
HF Energy	-1148.501733
Nuclear repulsion energy	451.316879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3361	3105	0.00
2	A_g	1758	1624	0.00
3	A_g	1275	1177	0.00
4	A_g	1193	1102	0.00
5	A_g	806	744	0.00
6	A_g	350	323	0.00
7	A_u	1013	936	0.00
8	A_u	438	405	0.00
9	B_1g	889	821	0.00
10	B_1u	3345	3090	1.50
11	B_1u	1618	1494	114.00
12	B_1u	1193	1102	91.91
13	B_1u	1079	997	55.20
14	B_1u	586	542	27.71
15	B_2g	974	900	0.00
16	B_2g	673	622	0.00
17	B_2g	317	292	0.00
18	B_2u	3359	3103	2.05
19	B_2u	1518	1403	8.53
20	B_2u	1304	1205	0.56
21	B_2u	1193	1102	3.07
22	B_2u	234	216	1.19
23	B_3g	3346	3091	0.00
24	B_3g	1739	1606	0.00
25	B_3g	1397	1291	0.00
26	B_3g	673	622	0.00
27	B_3g	377	348	0.00
28	B_3u	879	812	63.99
29	B_3u	521	482	15.79
30	B_3u	109	101	0.74

Atom	y (Å)	z (Å)
C1	0.000	1.375
C2	0.000	-1.375
C3	1.203	0.692
C4	-1.203	0.692
C5	-1.203	-0.692
C6	1.203	-0.692
Cl7	0.000	3.110
Cl8	0.000	-3.110
H9	2.134	1.236
H10	-2.134	1.236
H11	-2.134	-1.236
H12	2.134	-1.236

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7508	1.3839	1.3839	2.3924	2.3924	1.7350	4.4858	2.1385	2.1385	3.3722	3.3722
C2	2.7508		2.3924	2.3924	1.3839	1.3839	4.4858	1.7350	3.3722	3.3722	2.1385	2.1385
C3	1.3839	2.3924		2.4069	2.7767	1.3844	2.7011	3.9885	1.0776	3.3813	3.8542	2.1407
C4	1.3839	2.3924	2.4069		1.3844	2.7767	2.7011	3.9885	3.3813	1.0776	2.1407	3.8542
C5	2.3924	1.3839	2.7767	1.3844		2.4069	3.9885	2.7011	3.8542	2.1407	1.0776	3.3813
C6	2.3924	1.3839	1.3844	2.7767	2.4069		3.9885	2.7011	2.1407	3.8542	3.3813	1.0776
Cl7	1.7350	4.4858	2.7011	2.7011	3.9885	3.9885		6.2207	2.8404	2.8404	4.8417	4.8417
Cl8	4.4858	1.7350	3.9885	3.9885	2.7011	2.7011	6.2207		4.8417	4.8417	2.8404	2.8404
H9	2.1385	3.3722	1.0776	3.3813	3.8542	2.1407	2.8404	4.8417		4.2678	4.9318	2.4714
H10	2.1385	3.3722	3.3813	1.0776	2.1407	3.8542	2.8404	4.8417	4.2678		2.4714	4.9318
H11	3.3722	2.1385	3.8542	2.1407	1.0776	3.3813	4.8417	2.8404	4.9318	2.4714		4.2678
H12	3.3722	2.1385	2.1407	3.8542	3.3813	1.0776	4.8417	2.8404	2.4714	4.9318	4.2678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.583	C1	C3	H9	120.127
C1	C4	C5	119.583	C1	C4	H10	120.127
C2	C5	C4	119.583	C2	C5	H11	120.127
C2	C6	C3	119.583	C2	C6	H12	120.127
C3	C1	C4	120.833	C3	C1	Cl7	119.583
C3	C6	H12	120.290	C4	C1	Cl7	119.583
C4	C5	H11	120.290	C5	C2	C6	120.833
C5	C2	Cl8	119.583	C5	C4	H10	120.290
C6	C2	Cl8	119.583	C6	C3	H9	120.290

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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