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	hartrees
Energy at 0K	-1149.618907
Energy at 298.15K	-1149.622809
HF Energy	-1148.499274
Nuclear repulsion energy	446.795731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3217	3072
2	A_g	1637	1563
3	A_g	1214	1159
4	A_g	1123	1072
5	A_g	760	725
6	A_g	329	315
7	A_u	880	841
8	A_u	402	384
9	B_1g	800	764
10	B_1u	3202	3057
11	B_1u	1521	1453
12	B_1u	1125	1075
13	B_1u	1021	975
14	B_1u	553	528
15	B_2g	854	815
16	B_2g	505	482
17	B_2g	289	276
18	B_2u	3216	3070
19	B_2u	1434	1369
20	B_2u	1353	1292
21	B_2u	1136	1085
22	B_2u	221	211
23	B_3g	3203	3058
24	B_3g	1624	1551
25	B_3g	1319	1259
26	B_3g	635	606
27	B_3g	353	338
28	B_3u	778	743
29	B_3u	468	446
30	B_3u	102	97

Atom	y (Å)	z (Å)
C1	0.000	1.391
C2	0.000	-1.391
C3	1.218	0.700
C4	-1.218	0.700
C5	-1.218	-0.700
C6	1.218	-0.700
Cl7	0.000	3.139
Cl8	0.000	-3.139
H9	2.158	1.250
H10	-2.158	1.250
H11	-2.158	-1.250
H12	2.158	-1.250

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7812	1.3999	1.3999	2.4193	2.4193	1.7488	4.5300	2.1625	2.1625	3.4104	3.4104
C2	2.7812		2.4193	2.4193	1.3999	1.3999	4.5300	1.7488	3.4104	3.4104	2.1625	2.1625
C3	1.3999	2.4193		2.4354	2.8090	1.3998	2.7265	4.0278	1.0895	3.4202	3.8985	2.1650
C4	1.3999	2.4193	2.4354		1.3998	2.8090	2.7265	4.0278	3.4202	1.0895	2.1650	3.8985
C5	2.4193	1.3999	2.8090	1.3998		2.4354	4.0278	2.7265	3.8985	2.1650	1.0895	3.4202
C6	2.4193	1.3999	1.3998	2.8090	2.4354		4.0278	2.7265	2.1650	3.8985	3.4202	1.0895
Cl7	1.7488	4.5300	2.7265	2.7265	4.0278	4.0278		6.2788	2.8680	2.8680	4.8914	4.8914
Cl8	4.5300	1.7488	4.0278	4.0278	2.7265	2.7265	6.2788		4.8914	4.8914	2.8680	2.8680
H9	2.1625	3.4104	1.0895	3.4202	3.8985	2.1650	2.8680	4.8914		4.3159	4.9879	2.5005
H10	2.1625	3.4104	3.4202	1.0895	2.1650	3.8985	2.8680	4.8914	4.3159		2.5005	4.9879
H11	3.4104	2.1625	3.8985	2.1650	1.0895	3.4202	4.8914	2.8680	4.9879	2.5005		4.3159
H12	3.4104	2.1625	2.1650	3.8985	3.4202	1.0895	4.8914	2.8680	2.5005	4.9879	4.3159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.562	C1	C3	H9	120.096
C1	C4	C5	119.562	C1	C4	H10	120.096
C2	C5	C4	119.562	C2	C5	H11	120.096
C2	C6	C3	119.562	C2	C6	H12	120.096
C3	C1	C4	120.875	C3	C1	Cl7	119.562
C3	C6	H12	120.342	C4	C1	Cl7	119.562
C4	C5	H11	120.342	C5	C2	C6	120.875
C5	C2	Cl8	119.562	C5	C4	H10	120.342
C6	C2	Cl8	119.562	C6	C3	H9	120.342

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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