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	hartrees
Energy at 0K	-1143.462938
Energy at 298.15K	-1143.467053
HF Energy	-1142.842292
Nuclear repulsion energy	439.165801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3242	3094	0.00
2	A_g	1579	1507	0.00
3	A_g	1247	1191	0.00
4	A_g	1095	1045	0.00
5	A_g	748	714	0.00
6	A_g	317	303	0.00
7	A_u	953	910	0.00
8	A_u	433	414	0.00
9	B_1g	843	805	0.00
10	B_1u	3225	3078	0.23
11	B_1u	1530	1460	72.92
12	B_1u	1113	1063	101.58
13	B_1u	1060	1011	54.74
14	B_1u	504	481	27.01
15	B_2g	925	883	0.00
16	B_2g	704	671	0.00
17	B_2g	298	285	0.00
18	B_2u	3239	3092	0.03
19	B_2u	1422	1357	8.80
20	B_2u	1320	1260	0.64
21	B_2u	1142	1090	2.95
22	B_2u	202	193	1.75
23	B_3g	3225	3079	0.00
24	B_3g	1588	1516	0.00
25	B_3g	1372	1310	0.00
26	B_3g	665	635	0.00
27	B_3g	334	318	0.00
28	B_3u	839	801	76.16
29	B_3u	500	477	26.01
30	B_3u	101	97	0.94

Atom	y (Å)	z (Å)
C1	0.000	1.381
C2	0.000	-1.381
C3	1.221	0.703
C4	-1.221	0.703
C5	-1.221	-0.703
C6	1.221	-0.703
Cl7	0.000	3.224
Cl8	0.000	-3.224
H9	2.155	1.255
H10	-2.155	1.255
H11	-2.155	-1.255
H12	2.155	-1.255

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7623	1.3966	1.3966	2.4157	2.4157	1.8424	4.6047	2.1585	2.1585	3.4050	3.4050
C2	2.7623		2.4157	2.4157	1.3966	1.3966	4.6047	1.8424	3.4050	3.4050	2.1585	2.1585
C3	1.3966	2.4157		2.4419	2.8180	1.4064	2.8005	4.1122	1.0848	3.4206	3.9028	2.1697
C4	1.3966	2.4157	2.4419		1.4064	2.8180	2.8005	4.1122	3.4206	1.0848	2.1697	3.9028
C5	2.4157	1.3966	2.8180	1.4064		2.4419	4.1122	2.8005	3.9028	2.1697	1.0848	3.4206
C6	2.4157	1.3966	1.4064	2.8180	2.4419		4.1122	2.8005	2.1697	3.9028	3.4206	1.0848
Cl7	1.8424	4.6047	2.8005	2.8005	4.1122	4.1122		6.4471	2.9185	2.9185	4.9702	4.9702
Cl8	4.6047	1.8424	4.1122	4.1122	2.8005	2.8005	6.4471		4.9702	4.9702	2.9185	2.9185
H9	2.1585	3.4050	1.0848	3.4206	3.9028	2.1697	2.9185	4.9702		4.3096	4.9875	2.5105
H10	2.1585	3.4050	3.4206	1.0848	2.1697	3.9028	2.9185	4.9702	4.3096		2.5105	4.9875
H11	3.4050	2.1585	3.9028	2.1697	1.0848	3.4206	4.9702	2.9185	4.9875	2.5105		4.3096
H12	3.4050	2.1585	2.1697	3.9028	3.4206	1.0848	4.9702	2.9185	2.5105	4.9875	4.3096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.041	C1	C3	H9	120.369
C1	C4	C5	119.041	C1	C4	H10	120.369
C2	C5	C4	119.041	C2	C5	H11	120.369
C2	C6	C3	119.041	C2	C6	H12	120.369
C3	C1	C4	121.917	C3	C1	Cl7	119.041
C3	C6	H12	120.589	C4	C1	Cl7	119.041
C4	C5	H11	120.589	C5	C2	C6	121.917
C5	C2	Cl8	119.041	C5	C4	H10	120.589
C6	C2	Cl8	119.041	C6	C3	H9	120.589

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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