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	hartrees
Energy at 0K	-1149.756965
Energy at 298.15K	-1149.760738
HF Energy	-1148.586209
Nuclear repulsion energy	446.714097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3197	3078
2	A_g	1625	1565
3	A_g	1196	1151
4	A_g	1116	1074
5	A_g	755	727
6	A_g	329	317
7	A_u	861	829
8	A_u	395	380
9	B_1g	784	754
10	B_1u	3181	3063
11	B_1u	1510	1454
12	B_1u	1116	1075
13	B_1u	1011	973
14	B_1u	553	533
15	B_2g	832	801
16	B_2g	413	398
17	B_2g	280	270
18	B_2u	3195	3076
19	B_2u	1419	1366
20	B_2u	1284	1237
21	B_2u	1119	1078
22	B_2u	218	210
23	B_3g	3182	3064
24	B_3g	1610	1550
25	B_3g	1309	1260
26	B_3g	631	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	3.139
Cl8	0.000	-3.139
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		2.7846	1.4015	1.4015	2.4226	2.4226	1.7462	4.5308	2.1627	2.1627	3.4135	3.4135
C2	2.7846		2.4226	2.4226	1.4015	1.4015	4.5308	1.7462	3.4135	3.4135	2.1627	2.1627
C3	1.4015	2.4226		2.4384	2.8128	1.4023	2.7253	4.0286	1.0889	3.4221	3.9017	2.1675
C4	1.4015	2.4226	2.4384		1.4023	2.8128	2.7253	4.0286	3.4221	1.0889	2.1675	3.9017
C5	2.4226	1.4015	2.8128	1.4023		2.4384	4.0286	2.7253	3.9017	2.1675	1.0889	3.4221
C6	2.4226	1.4015	1.4023	2.8128	2.4384		4.0286	2.7253	2.1675	3.9017	3.4221	1.0889
Cl7	1.7462	4.5308	2.7253	2.7253	4.0286	4.0286		6.2770	2.8662	2.8662	4.8927	4.8927
Cl8	4.5308	1.7462	4.0286	4.0286	2.7253	2.7253	6.2770		4.8927	4.8927	2.8662	2.8662
H9	2.1627	3.4135	1.0889	3.4221	3.9017	2.1675	2.8662	4.8927		4.3164	4.9906	2.5048
H10	2.1627	3.4135	3.4221	1.0889	2.1675	3.9017	2.8662	4.8927	4.3164		2.5048	4.9906
H11	3.4135	2.1627	3.9017	2.1675	1.0889	3.4221	4.8927	2.8662	4.9906	2.5048		4.3164
H12	3.4135	2.1627	2.1675	3.9017	3.4221	1.0889	4.8927	2.8662	2.5048	4.9906	4.3164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.548	C1	C3	H9	120.036
C1	C4	C5	119.548	C1	C4	H10	120.036
C2	C5	C4	119.548	C2	C5	H11	120.036
C2	C6	C3	119.548	C2	C6	H12	120.036
C3	C1	C4	120.903	C3	C1	Cl7	119.548
C3	C6	H12	120.416	C4	C1	Cl7	119.548
C4	C5	H11	120.416	C5	C2	C6	120.903
C5	C2	Cl8	119.548	C5	C4	H10	120.416
C6	C2	Cl8	119.548	C6	C3	H9	120.416

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

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

States and conformations

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