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	hartrees
Energy at 0K	-1149.755939
Energy at 298.15K	-1149.759716
HF Energy	-1148.586277
Nuclear repulsion energy	446.794687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3198	3078
2	A_g	1627	1566
3	A_g	1196	1152
4	A_g	1117	1075
5	A_g	756	727
6	A_g	329	317
7	A_u	862	830
8	A_u	395	381
9	B_1g	784	755
10	B_1u	3182	3063
11	B_1u	1511	1455
12	B_1u	1117	1076
13	B_1u	1012	974
14	B_1u	554	534
15	B_2g	832	801
16	B_2g	413	397
17	B_2g	281	270
18	B_2u	3196	3077
19	B_2u	1420	1367
20	B_2u	1288	1240
21	B_2u	1120	1078
22	B_2u	218	210
23	B_3g	3183	3064
24	B_3g	1611	1551
25	B_3g	1309	1260
26	B_3g	632	608
27	B_3g	348	335
28	B_3u	756	728
29	B_3u	447	430
30	B_3u	102	98

Atom	y (Å)	z (Å)
C1	0.000	1.392
C2	0.000	-1.392
C3	1.219	0.701
C4	-1.219	0.701
C5	-1.219	-0.701
C6	1.219	-0.701
Cl7	0.000	3.138
Cl8	0.000	-3.138
H9	2.158	1.252
H10	-2.158	1.252
H11	-2.158	-1.252
H12	2.158	-1.252

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7841	1.4012	1.4012	2.4222	2.4222	1.7459	4.5299	2.1624	2.1624	3.4131	3.4131
C2	2.7841		2.4222	2.4222	1.4012	1.4012	4.5299	1.7459	3.4131	3.4131	2.1624	2.1624
C3	1.4012	2.4222		2.4380	2.8124	1.4021	2.7247	4.0278	1.0888	3.4216	3.9011	2.1673
C4	1.4012	2.4222	2.4380		1.4021	2.8124	2.7247	4.0278	3.4216	1.0888	2.1673	3.9011
C5	2.4222	1.4012	2.8124	1.4021		2.4380	4.0278	2.7247	3.9011	2.1673	1.0888	3.4216
C6	2.4222	1.4012	1.4021	2.8124	2.4380		4.0278	2.7247	2.1673	3.9011	3.4216	1.0888
Cl7	1.7459	4.5299	2.7247	2.7247	4.0278	4.0278		6.2758	2.8657	2.8657	4.8919	4.8919
Cl8	4.5299	1.7459	4.0278	4.0278	2.7247	2.7247	6.2758		4.8919	4.8919	2.8657	2.8657
H9	2.1624	3.4131	1.0888	3.4216	3.9011	2.1673	2.8657	4.8919		4.3158	4.9899	2.5046
H10	2.1624	3.4131	3.4216	1.0888	2.1673	3.9011	2.8657	4.8919	4.3158		2.5046	4.9899
H11	3.4131	2.1624	3.9011	2.1673	1.0888	3.4216	4.8919	2.8657	4.9899	2.5046		4.3158
H12	3.4131	2.1624	2.1673	3.9011	3.4216	1.0888	4.8919	2.8657	2.5046	4.9899	4.3158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.548	C1	C3	H9	120.033
C1	C4	C5	119.548	C1	C4	H10	120.033
C2	C5	C4	119.548	C2	C5	H11	120.033
C2	C6	C3	119.548	C2	C6	H12	120.033
C3	C1	C4	120.904	C3	C1	Cl7	119.548
C3	C6	H12	120.419	C4	C1	Cl7	119.548
C4	C5	H11	120.419	C5	C2	C6	120.904
C5	C2	Cl8	119.548	C5	C4	H10	120.419
C6	C2	Cl8	119.548	C6	C3	H9	120.419

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

using model chemistry: CCSD(T)/6-311G*

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: CCSD(T)/6-311G*

States and conformations

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