%chk=000114665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114665

0 1
Cl -3.437146 -1.274986 2.050331
Cl -2.239408 0.573635 -2.829623
Cl -5.150423 1.722408 -3.117287
Cl -6.325923 -0.109653 1.795609
Cl -7.166697 1.374568 -0.791005
O -1.706212 -0.700391 -0.207870
O -1.737154 -2.151820 -1.965120
O 2.500095 1.245510 -0.516988
O 2.750252 -0.529432 -1.962059
N 0.911833 -0.342740 -0.531340
C 0.623076 -2.718288 0.351434
C 0.392086 -1.692991 -0.799780
C 0.175257 -2.172732 1.719898
C 2.095952 -3.128506 0.363969
C -0.124674 -3.293629 2.710588
C -1.100040 -1.587970 -1.127023
C 2.131044 0.041917 -1.087060
C -3.006479 -0.275092 -0.407632
C 3.759234 1.829144 -0.991131
C 4.906212 1.241488 -0.220778
C -3.916237 -0.447107 0.647710
C -3.378521 0.397590 -1.585067
C -4.677527 0.906865 -1.701802
C -5.210622 0.076691 0.524234
C 5.423319 1.910404 0.897409
C 5.463330 0.018390 -0.623814
C -5.591004 0.748740 -0.647132
C 6.500446 1.362895 1.600793
C 6.538203 -0.525126 0.083077
C 7.059350 0.147279 1.193958
H 0.006824 -3.623542 0.107349
H 0.894113 -2.091660 -1.740233
H 0.954477 -1.505212 2.137811
H -0.731091 -1.539949 1.600178
H 2.290510 -3.865249 1.153502
H 2.407342 -3.579760 -0.586001
H 2.762400 -2.276518 0.549980
H 0.518451 0.169568 0.260545
H -0.949403 -3.930193 2.368611
H 0.746134 -3.940037 2.871354
H -0.412094 -2.886840 3.687767
H 3.579187 2.900160 -0.777292
H 3.846670 1.665775 -2.082628
H 4.987035 2.853526 1.222715
H 5.044403 -0.509548 -1.486495
H 6.903188 1.884318 2.467510
H 6.970942 -1.473243 -0.232522
H 7.899292 -0.276361 1.742050


%chk=000114665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114665

0 1
Cl -3.395256 -0.433483 2.105303
Cl -2.102289 0.533473 -3.169547
Cl -5.128946 1.520441 -3.757821
Cl -6.424919 0.572333 1.575710
Cl -7.284408 1.541666 -1.370466
O -1.626717 -0.251271 -0.306976
O -1.966747 -2.418859 -1.148246
O 2.402307 1.223185 -0.105821
O 2.463185 -0.417069 -1.807641
N 0.979926 -0.541814 0.008577
C 0.542154 -2.998552 0.480415
C 0.310282 -1.752863 -0.450376
C 0.015694 -2.742138 1.918603
C 2.035604 -3.389755 0.453434
C 0.003023 -4.007383 2.803963
C -1.188333 -1.569108 -0.697341
C 1.987000 0.039003 -0.733020
C -2.961387 0.109308 -0.573686
C 3.570495 1.917852 -0.752265
C 4.890119 1.409481 -0.213328
C -3.907829 0.120187 0.473592
C -3.337524 0.539570 -1.866502
C -4.657823 0.975022 -2.113827
C -5.229296 0.558485 0.235895
C 5.502262 2.039270 0.900091
C 5.530841 0.295804 -0.816832
C -5.605243 0.985069 -1.060967
C 6.731720 1.563547 1.408144
C 6.759823 -0.180597 -0.309443
C 7.363134 0.451606 0.803343
H -0.054666 -3.820424 0.034765
H 0.750996 -1.992307 -1.439402
H 0.640866 -1.963739 2.402287
H -1.016120 -2.338595 1.868417
H 2.210345 -4.310985 1.035372
H 2.385024 -3.570844 -0.579181
H 2.661726 -2.587671 0.885542
H 0.629147 -0.036405 0.822258
H -0.594892 -4.811278 2.335080
H 1.021500 -4.397994 2.977320
H -0.441573 -3.790089 3.792045
H 3.398402 2.973987 -0.492490
H 3.488250 1.768118 -1.842316
H 5.013546 2.902015 1.369741
H 5.052374 -0.195853 -1.671279
H 7.197572 2.058682 2.267506
H 7.248141 -1.040105 -0.782110
H 8.318511 0.083373 1.194179


