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	hartrees
Energy at 0K	-1149.728633
Energy at 298.15K	-1149.732686
HF Energy	-1148.557734
Nuclear repulsion energy	444.967348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3233	3114
2	A_g	1635	1574
3	A_g	1180	1136
4	A_g	1121	1079
5	A_g	750	722
6	A_g	328	316
7	A_u	941	906
8	A_u	405	390
9	B_1g	821	791
10	B_1u	3216	3097
11	B_1u	1504	1449
12	B_1u	1114	1073
13	B_1u	1010	973
14	B_1u	552	531
15	B_2g	908	874
16	B_2g	608	586
17	B_2g	293	282
18	B_2u	3231	3112
19	B_2u	1415	1363
20	B_2u	1312	1264
21	B_2u	1106	1066
22	B_2u	218	210
23	B_3g	3217	3099
24	B_3g	1618	1559
25	B_3g	1293	1246
26	B_3g	628	605
27	B_3g	346	333
28	B_3u	810	780
29	B_3u	476	458
30	B_3u	102	98

Atom	y (Å)	z (Å)
C1	0.000	1.399
C2	0.000	-1.399
C3	1.223	0.704
C4	-1.223	0.704
C5	-1.223	-0.704
C6	1.223	-0.704
Cl7	0.000	3.151
Cl8	0.000	-3.151
H9	2.168	1.257
H10	-2.168	1.257
H11	-2.168	-1.257
H12	2.168	-1.257

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7974	1.4070	1.4070	2.4324	2.4324	1.7523	4.5497	2.1725	2.1725	3.4284	3.4284
C2	2.7974		2.4324	2.4324	1.4070	1.4070	4.5497	1.7523	3.4284	3.4284	2.1725	2.1725
C3	1.4070	2.4324		2.4467	2.8226	1.4075	2.7360	4.0442	1.0948	3.4361	3.9174	2.1767
C4	1.4070	2.4324	2.4467		1.4075	2.8226	2.7360	4.0442	3.4361	1.0948	2.1767	3.9174
C5	2.4324	1.4070	2.8226	1.4075		2.4467	4.0442	2.7360	3.9174	2.1767	1.0948	3.4361
C6	2.4324	1.4070	1.4075	2.8226	2.4467		4.0442	2.7360	2.1767	3.9174	3.4361	1.0948
Cl7	1.7523	4.5497	2.7360	2.7360	4.0442	4.0442		6.3020	2.8786	2.8786	4.9126	4.9126
Cl8	4.5497	1.7523	4.0442	4.0442	2.7360	2.7360	6.3020		4.9126	4.9126	2.8786	2.8786
H9	2.1725	3.4284	1.0948	3.4361	3.9174	2.1767	2.8786	4.9126		4.3359	5.0123	2.5146
H10	2.1725	3.4284	3.4361	1.0948	2.1767	3.9174	2.8786	4.9126	4.3359		2.5146	5.0123
H11	3.4284	2.1725	3.9174	2.1767	1.0948	3.4361	4.9126	2.8786	5.0123	2.5146		4.3359
H12	3.4284	2.1725	2.1767	3.9174	3.4361	1.0948	4.9126	2.8786	2.5146	5.0123	4.3359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.601	C1	C3	H9	120.028
C1	C4	C5	119.601	C1	C4	H10	120.028
C2	C5	C4	119.601	C2	C5	H11	120.028
C2	C6	C3	119.601	C2	C6	H12	120.028
C3	C1	C4	120.799	C3	C1	Cl7	119.601
C3	C6	H12	120.372	C4	C1	Cl7	119.601
C4	C5	H11	120.372	C5	C2	C6	120.799
C5	C2	Cl8	119.601	C5	C4	H10	120.372
C6	C2	Cl8	119.601	C6	C3	H9	120.372

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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)=FULL/cc-pVDZ

States and conformations

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