%chk=000244364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244364

0 1
Cl 6.525395 -3.291981 -1.285368
Cl 7.173896 3.585021 0.324973
O -3.307578 0.730205 1.596065
N 4.981494 0.220292 -0.026932
N -4.002588 -0.159623 -0.414509
N -1.105232 -1.726556 -1.769720
C 3.601486 0.278730 0.204585
C 5.718290 -1.063277 -0.018947
C 5.758695 1.420737 -0.410598
C 2.873760 -0.890709 0.519911
C 1.494498 -0.842075 0.748429
C 0.810614 0.391729 0.660128
C 2.913709 1.521765 0.150453
C 1.549883 1.560970 0.384843
C 5.604331 -1.763752 -1.378247
C 6.256367 2.142953 0.847258
C 0.793166 -2.109217 1.108523
C -0.628278 0.540411 0.861179
C -1.603537 -0.085503 0.158953
C -3.032103 0.200337 0.533282
C -5.420858 0.006892 -0.264944
C -1.328275 -0.992042 -0.903248
C -6.228989 -0.425621 -1.338512
C -6.003349 0.569298 0.882299
C -7.613859 -0.288599 -1.248850
C -7.392437 0.695983 0.949182
C -8.201241 0.271030 -0.108754
H 5.322807 -1.725108 0.790550
H 6.788181 -0.880511 0.235830
H 5.135651 2.109610 -1.031908
H 6.619763 1.129956 -1.056206
H 3.379945 -1.851160 0.592770
H 3.443645 2.443026 -0.076831
H 1.029969 2.521648 0.340848
H 6.024169 -1.158242 -2.202410
H 4.554412 -2.006664 -1.636576
H 6.926616 1.510388 1.458180
H 5.422439 2.478060 1.494321
H 0.626609 -2.733733 0.214043
H -0.188464 -1.950235 1.575340
H 1.379090 -2.718068 1.812492
H -0.921138 1.259160 1.648993
H -3.706487 -0.579118 -1.300711
H -5.786743 -0.863417 -2.230020
H -5.379840 0.905944 1.717227
H -8.241489 -0.621446 -2.075339
H -7.846120 1.132266 1.839487
H -9.281776 0.374245 -0.046714


%chk=000244364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244364

0 1
Cl 6.746219 -3.260480 -1.469283
Cl 7.246551 3.645216 1.039451
O -3.214929 1.440604 1.078110
N 5.097406 0.252073 -0.003134
N -4.139872 -0.280837 -0.231861
N -1.634636 -2.150020 -1.682122
C 3.701977 0.293781 0.159966
C 5.833451 -1.025895 -0.055424
C 5.894282 1.488010 -0.128966
C 2.926432 -0.901528 0.257229
C 1.522037 -0.903302 0.388170
C 0.820974 0.354671 0.420722
C 3.002678 1.538249 0.270788
C 1.613753 1.547586 0.416107
C 5.794634 -1.630957 -1.471891
C 6.256170 2.053594 1.257754
C 0.836479 -2.243299 0.588268
C -0.617787 0.564873 0.505316
C -1.704561 -0.134784 0.004243
C -3.081185 0.418552 0.335925
C -5.535611 -0.030476 -0.108797
C -1.625587 -1.244784 -0.892602
C -6.412413 -0.913995 -0.796748
C -6.071567 1.040503 0.656481
C -7.807062 -0.731675 -0.721792
C -7.471745 1.207798 0.720549
C -8.347379 0.332186 0.038804
H 5.426686 -1.747481 0.674349
H 6.884258 -0.846746 0.231899
H 5.350934 2.247470 -0.717329
H 6.822673 1.264055 -0.683006
H 3.423233 -1.876921 0.249683
H 3.535414 2.492604 0.257138
H 1.101224 2.513216 0.501317
H 6.293534 -0.988969 -2.212928
H 4.773879 -1.874409 -1.799058
H 6.901393 1.371682 1.831376
H 5.367500 2.326042 1.844790
H 0.546933 -2.707613 -0.371539
H -0.082853 -2.148368 1.190025
H 1.512942 -2.945258 1.106524
H -0.933253 1.486405 1.021959
H -3.888838 -1.082054 -0.820859
H -6.000251 -1.741524 -1.388832
H -5.394278 1.715889 1.181500
H -8.470532 -1.419587 -1.257157
H -7.879220 2.035265 1.312215
H -9.431590 0.474638 0.097475


