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	hartrees
Energy at 0K	-1149.910443
Energy at 298.15K	-1149.914495
HF Energy	-1148.588112
Nuclear repulsion energy	448.999219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3261	3261	0.00
2	A_g	1679	1679	0.00
3	A_g	1222	1222	0.00
4	A_g	1152	1152	0.00
5	A_g	777	777	0.00
6	A_g	339	339	0.00
7	A_u	913	913	0.00
8	A_u	414	414	0.00
9	B_1g	823	823	0.00
10	B_1u	3245	3245	1.63
11	B_1u	1551	1551	113.39
12	B_1u	1148	1148	91.83
13	B_1u	1037	1037	55.09
14	B_1u	571	571	23.98
15	B_2g	873	873	0.00
16	B_2g	504	504	0.00
17	B_2g	297	297	0.00
18	B_2u	3259	3259	2.94
19	B_2u	1457	1457	7.84
20	B_2u	1259	1259	0.11
21	B_2u	1143	1143	3.63
22	B_2u	223	223	0.52
23	B_3g	3246	3246	0.00
24	B_3g	1658	1658	0.00
25	B_3g	1339	1339	0.00
26	B_3g	648	648	0.00
27	B_3g	360	360	0.00
28	B_3u	800	800	67.71
29	B_3u	477	477	23.14
30	B_3u	103	103	0.36

Atom	y (Å)	z (Å)
C1	0.000	1.386
C2	0.000	-1.386
C3	1.212	0.697
C4	-1.212	0.697
C5	-1.212	-0.697
C6	1.212	-0.697
Cl7	0.000	3.124
Cl8	0.000	-3.124
H9	2.147	1.245
H10	-2.147	1.245
H11	-2.147	-1.245
H12	2.147	-1.245

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7712	1.3935	1.3935	2.4096	2.4096	1.7381	4.5093	2.1512	2.1512	3.3956	3.3956
C2	2.7712		2.4096	2.4096	1.3935	1.3935	4.5093	1.7381	3.3956	3.3956	2.1512	2.1512
C3	1.3935	2.4096		2.4234	2.7960	1.3945	2.7122	4.0085	1.0838	3.4027	3.8797	2.1560
C4	1.3935	2.4096	2.4234		1.3945	2.7960	2.7122	4.0085	3.4027	1.0838	2.1560	3.8797
C5	2.4096	1.3935	2.7960	1.3945		2.4234	4.0085	2.7122	3.8797	2.1560	1.0838	3.4027
C6	2.4096	1.3935	1.3945	2.7960	2.4234		4.0085	2.7122	2.1560	3.8797	3.4027	1.0838
Cl7	1.7381	4.5093	2.7122	2.7122	4.0085	4.0085		6.2474	2.8523	2.8523	4.8680	4.8680
Cl8	4.5093	1.7381	4.0085	4.0085	2.7122	2.7122	6.2474		4.8680	4.8680	2.8523	2.8523
H9	2.1512	3.3956	1.0838	3.4027	3.8797	2.1560	2.8523	4.8680		4.2932	4.9635	2.4909
H10	2.1512	3.3956	3.4027	1.0838	2.1560	3.8797	2.8523	4.8680	4.2932		2.4909	4.9635
H11	3.3956	2.1512	3.8797	2.1560	1.0838	3.4027	4.8680	2.8523	4.9635	2.4909		4.2932
H12	3.3956	2.1512	2.1560	3.8797	3.4027	1.0838	4.8680	2.8523	2.4909	4.9635	4.2932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.600	C1	C3	H9	120.015
C1	C4	C5	119.600	C1	C4	H10	120.015
C2	C5	C4	119.600	C2	C5	H11	120.015
C2	C6	C3	119.600	C2	C6	H12	120.015
C3	C1	C4	120.800	C3	C1	Cl7	119.600
C3	C6	H12	120.385	C4	C1	Cl7	119.600
C4	C5	H11	120.385	C5	C2	C6	120.800
C5	C2	Cl8	119.600	C5	C4	H10	120.385
C6	C2	Cl8	119.600	C6	C3	H9	120.385

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-311G*

States and conformations

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