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	hartrees
Energy at 0K	-1149.570787
Energy at 298.15K	-1149.574848
HF Energy	-1148.500347
Nuclear repulsion energy	448.049493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3239	3085	0.00
2	A_g	1679	1599	0.00
3	A_g	1229	1170	0.00
4	A_g	1145	1090	0.00
5	A_g	774	737	0.00
6	A_g	335	319	0.00
7	A_u	920	876	0.00
8	A_u	411	392	0.00
9	B_1g	827	787	0.00
10	B_1u	3224	3070	1.98
11	B_1u	1551	1477	99.27
12	B_1u	1146	1091	83.58
13	B_1u	1037	987	50.99
14	B_1u	562	535	24.09
15	B_2g	884	842	0.00
16	B_2g	563	536	0.00
17	B_2g	298	284	0.00
18	B_2u	3238	3083	3.59
19	B_2u	1457	1387	7.11
20	B_2u	1277	1216	0.22
21	B_2u	1151	1096	3.53
22	B_2u	224	213	1.13
23	B_3g	3225	3071	0.00
24	B_3g	1663	1584	0.00
25	B_3g	1339	1275	0.00
26	B_3g	646	615	0.00
27	B_3g	361	344	0.00
28	B_3u	808	770	61.97
29	B_3u	483	460	12.89
30	B_3u	103	98	0.63

Atom	y (Å)	z (Å)
C1	0.000	1.386
C2	0.000	-1.386
C3	1.213	0.698
C4	-1.213	0.698
C5	-1.213	-0.698
C6	1.213	-0.698
Cl7	0.000	3.131
Cl8	0.000	-3.131
H9	2.152	1.247
H10	-2.152	1.247
H11	-2.152	-1.247
H12	2.152	-1.247

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7717	1.3949	1.3949	2.4112	2.4112	1.7455	4.5171	2.1564	2.1564	3.4003	3.4003
C2	2.7717		2.4112	2.4112	1.3949	1.3949	4.5171	1.7455	3.4003	3.4003	2.1564	2.1564
C3	1.3949	2.4112		2.4268	2.7995	1.3956	2.7192	4.0167	1.0873	3.4098	3.8868	2.1593
C4	1.3949	2.4112	2.4268		1.3956	2.7995	2.7192	4.0167	3.4098	1.0873	2.1593	3.8868
C5	2.4112	1.3949	2.7995	1.3956		2.4268	4.0167	2.7192	3.8868	2.1593	1.0873	3.4098
C6	2.4112	1.3949	1.3956	2.7995	2.4268		4.0167	2.7192	2.1593	3.8868	3.4098	1.0873
Cl7	1.7455	4.5171	2.7192	2.7192	4.0167	4.0167		6.2626	2.8604	2.8604	4.8784	4.8784
Cl8	4.5171	1.7455	4.0167	4.0167	2.7192	2.7192	6.2626		4.8784	4.8784	2.8604	2.8604
H9	2.1564	3.4003	1.0873	3.4098	3.8868	2.1593	2.8604	4.8784		4.3039	4.9741	2.4937
H10	2.1564	3.4003	3.4098	1.0873	2.1593	3.8868	2.8604	4.8784	4.3039		2.4937	4.9741
H11	3.4003	2.1564	3.8868	2.1593	1.0873	3.4098	4.8784	2.8604	4.9741	2.4937		4.3039
H12	3.4003	2.1564	2.1593	3.8868	3.4098	1.0873	4.8784	2.8604	2.4937	4.9741	4.3039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.555	C1	C3	H9	120.116
C1	C4	C5	119.555	C1	C4	H10	120.116
C2	C5	C4	119.555	C2	C5	H11	120.116
C2	C6	C3	119.555	C2	C6	H12	120.116
C3	C1	C4	120.891	C3	C1	Cl7	119.555
C3	C6	H12	120.329	C4	C1	Cl7	119.555
C4	C5	H11	120.329	C5	C2	C6	120.891
C5	C2	Cl8	119.555	C5	C4	H10	120.329
C6	C2	Cl8	119.555	C6	C3	H9	120.329

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

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

States and conformations

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