%chk=000207161.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207161

0 1
Cl -3.580682 -0.429781 -2.254839
O 6.169944 -1.667277 0.015545
O 0.938530 3.075604 -0.318621
N 3.694479 -0.251690 0.124032
N 0.170095 1.045297 0.397115
N -0.795680 0.122170 0.563874
C 2.408893 0.297492 -0.408945
C 3.722575 -1.748836 0.041749
C 4.878552 0.326044 -0.591143
C 1.539140 0.616352 0.827041
C 5.028850 -2.246324 0.681073
C 6.156793 -0.225446 0.061010
C -0.027731 2.346515 -0.189735
C -1.427283 2.637724 -0.567903
C -2.038426 0.419146 0.193166
C -2.393008 1.700975 -0.383378
C -3.072624 -0.617290 0.396328
C -1.673650 3.983579 -1.148024
C -3.851815 -1.074209 -0.678340
C -3.296960 -1.168123 1.667863
C -4.840708 -2.044456 -0.509827
C -4.285052 -2.140085 1.848865
C -5.055664 -2.575966 0.765704
H 1.877091 -0.397088 -1.092389
H 2.572878 1.236100 -0.986801
H 3.647683 -2.127117 -1.000754
H 2.849870 -2.148012 0.601146
H 4.847457 1.432022 -0.481552
H 4.882423 0.098492 -1.678630
H 1.996095 1.449963 1.410822
H 1.466353 -0.265151 1.502717
H 5.077879 -2.001107 1.756633
H 5.185748 -3.327545 0.524331
H 7.063930 0.038267 -0.509820
H 6.253288 0.101195 1.111521
H -3.435171 1.882457 -0.651975
H -1.081101 4.132550 -2.066555
H -1.359524 4.779374 -0.451801
H -2.727330 4.155968 -1.400037
H -2.689648 -0.836108 2.511660
H -5.431760 -2.383706 -1.360664
H -4.452900 -2.561645 2.839718
H -5.824630 -3.334224 0.912620


%chk=000207161-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207161

0 1
Cl -4.186755 -0.047989 -2.342626
O 6.157622 -1.767990 0.142529
O 0.974026 3.219878 -0.162188
N 3.705086 -0.216387 0.085317
N 0.153773 1.092860 0.404598
N -0.811430 0.119126 0.476485
C 2.386551 0.266884 -0.371491
C 3.702282 -1.645053 0.491225
C 4.804706 0.049096 -0.877720
C 1.505797 0.671700 0.837901
C 5.065113 -2.021529 1.095950
C 6.151037 -0.347805 -0.250203
C -0.016255 2.422112 -0.102224
C -1.391528 2.743933 -0.505663
C -2.052864 0.442114 0.055123
C -2.368120 1.763850 -0.427944
C -3.069977 -0.637227 0.206673
C -1.642028 4.146125 -0.991687
C -4.089647 -0.929545 -0.735850
C -3.032637 -1.449830 1.376771
C -5.042140 -1.946963 -0.530709
C -3.969579 -2.476991 1.599184
C -4.986652 -2.722230 0.647737
H 1.842093 -0.494735 -0.981671
H 2.531853 1.162908 -1.000268
H 3.491349 -2.312394 -0.382372
H 2.910410 -1.815873 1.244332
H 4.816246 1.128101 -1.119859
H 4.666250 -0.520226 -1.831067
H 1.986418 1.516675 1.355173
H 1.368050 -0.172037 1.531469
H 5.233616 -1.434297 2.024542
H 5.116343 -3.099424 1.322573
H 6.976137 -0.238125 -0.973196
H 6.345345 0.287358 0.640882
H -3.396854 1.992211 -0.717685
H -1.006415 4.368014 -1.868842
H -1.352595 4.881636 -0.218579
H -2.699088 4.300293 -1.263678
H -2.243593 -1.246037 2.106854
H -5.805371 -2.136054 -1.290821
H -3.912282 -3.077988 2.512503
H -5.727094 -3.512045 0.811324


