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	hartrees
Energy at 0K	-1149.608083
Energy at 298.15K	-1149.612208
HF Energy	-1148.501041
Nuclear repulsion energy	449.248270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3276	3074	0.00
2	A_g	1698	1593	0.00
3	A_g	1239	1163	0.00
4	A_g	1158	1087	0.00
5	A_g	783	734	0.00
6	A_g	339	318	0.00
7	A_u	929	871	0.00
8	A_u	416	391	0.00
9	B_1g	837	786	0.00
10	B_1u	3261	3060	1.33
11	B_1u	1567	1470	104.93
12	B_1u	1157	1086	81.85
13	B_1u	1046	981	53.05
14	B_1u	570	535	24.55
15	B_2g	892	837	0.00
16	B_2g	567	532	0.00
17	B_2g	303	284	0.00
18	B_2u	3275	3073	1.75
19	B_2u	1472	1381	7.19
20	B_2u	1280	1201	0.15
21	B_2u	1161	1089	4.06
22	B_2u	227	213	1.08
23	B_3g	3262	3061	0.00
24	B_3g	1678	1575	0.00
25	B_3g	1351	1268	0.00
26	B_3g	653	612	0.00
27	B_3g	365	342	0.00
28	B_3u	818	768	64.19
29	B_3u	490	460	13.30
30	B_3u	105	98	0.65

Atom	y (Å)	z (Å)
C1	0.000	1.382
C2	0.000	-1.382
C3	1.210	0.696
C4	-1.210	0.696
C5	-1.210	-0.696
C6	1.210	-0.696
Cl7	0.000	3.123
Cl8	0.000	-3.123
H9	2.146	1.244
H10	-2.146	1.244
H11	-2.146	-1.244
H12	2.146	-1.244

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7642	1.3913	1.3913	2.4048	2.4048	1.7407	4.5049	2.1504	2.1504	3.3916	3.3916
C2	2.7642		2.4048	2.4048	1.3913	1.3913	4.5049	1.7407	3.3916	3.3916	2.1504	2.1504
C3	1.3913	2.4048		2.4207	2.7923	1.3918	2.7120	4.0059	1.0845	3.4008	3.8767	2.1540
C4	1.3913	2.4048	2.4207		1.3918	2.7923	2.7120	4.0059	3.4008	1.0845	2.1540	3.8767
C5	2.4048	1.3913	2.7923	1.3918		2.4207	4.0059	2.7120	3.8767	2.1540	1.0845	3.4008
C6	2.4048	1.3913	1.3918	2.7923	2.4207		4.0059	2.7120	2.1540	3.8767	3.4008	1.0845
Cl7	1.7407	4.5049	2.7120	2.7120	4.0059	4.0059		6.2456	2.8520	2.8520	4.8658	4.8658
Cl8	4.5049	1.7407	4.0059	4.0059	2.7120	2.7120	6.2456		4.8658	4.8658	2.8520	2.8520
H9	2.1504	3.3916	1.0845	3.4008	3.8767	2.1540	2.8520	4.8658		4.2919	4.9612	2.4885
H10	2.1504	3.3916	3.4008	1.0845	2.1540	3.8767	2.8520	4.8658	4.2919		2.4885	4.9612
H11	3.3916	2.1504	3.8767	2.1540	1.0845	3.4008	4.8658	2.8520	4.9612	2.4885		4.2919
H12	3.3916	2.1504	2.1540	3.8767	3.4008	1.0845	4.8658	2.8520	2.4885	4.9612	4.2919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.550	C1	C3	H9	120.076
C1	C4	C5	119.550	C1	C4	H10	120.076
C2	C5	C4	119.550	C2	C5	H11	120.076
C2	C6	C3	119.550	C2	C6	H12	120.076
C3	C1	C4	120.900	C3	C1	Cl7	119.550
C3	C6	H12	120.374	C4	C1	Cl7	119.550
C4	C5	H11	120.374	C5	C2	C6	120.900
C5	C2	Cl8	119.550	C5	C4	H10	120.374
C6	C2	Cl8	119.550	C6	C3	H9	120.374

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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