%chk=000183127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183127

0 1
Cl -3.626017 2.248876 -1.514436
Cl 1.993911 -1.045891 3.029586
F 5.809622 0.878119 -0.131795
F 5.081227 0.366736 -2.048410
F 4.727683 2.299817 -1.261826
O -0.647912 2.133259 1.056692
O -0.914824 2.544711 -1.049982
O -2.957396 -3.885118 0.692620
O -1.261327 -3.079270 1.756940
N -0.283331 -0.791435 1.054964
N -1.078711 1.878750 -0.051933
N -2.206794 -2.973126 0.981228
N 1.059742 0.177721 -0.663167
C -1.518245 -0.588312 0.407555
C -1.918602 0.650877 -0.170127
C -2.461097 -1.657590 0.374234
C -4.061563 -0.315756 -0.890086
C -3.154227 0.763461 -0.819602
C -3.703281 -1.510125 -0.276285
C 0.970338 -0.326713 0.610505
C -5.363162 -0.158660 -1.595527
C 2.115973 -0.424504 1.447414
C 3.435004 0.524830 -0.336213
C 3.350656 0.008161 0.965081
C 2.259914 0.600753 -1.116182
C 4.728584 1.001597 -0.916940
H -4.391746 -2.369958 -0.295677
H -0.274153 -1.498122 1.833366
H -5.983047 0.627175 -1.133030
H -5.218428 0.129028 -2.650578
H -5.963474 -1.079389 -1.597678
H 4.233522 -0.059815 1.611846
H 2.263061 1.007315 -2.141556


%chk=000183127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183127

0 1
Cl -3.701891 2.290700 -1.673073
Cl 1.980592 -1.362963 2.969584
F 5.877417 0.798378 0.043903
F 5.147672 0.484378 -2.085544
F 4.806704 2.470141 -1.060816
O -0.614580 2.123716 0.983307
O -0.818045 2.525478 -1.251461
O -3.059538 -3.888478 0.866970
O -1.241301 -3.006329 1.910716
N -0.253097 -0.802019 0.941395
N -1.046121 1.834515 -0.198949
N -2.253140 -2.908885 1.083586
N 1.105651 0.304879 -0.659797
C -1.497797 -0.589761 0.350475
C -1.904476 0.622828 -0.303477
C -2.490635 -1.631231 0.397992
C -4.122446 -0.323354 -0.902399
C -3.174579 0.738733 -0.912957
C -3.751883 -1.491341 -0.220544
C 0.992172 -0.310307 0.550367
C -5.480664 -0.200675 -1.555780
C 2.140222 -0.521634 1.370111
C 3.491766 0.569989 -0.314637
C 3.395837 -0.081339 0.938421
C 2.313650 0.745088 -1.079464
C 4.805733 1.068906 -0.835986
H -4.443304 -2.335483 -0.156945
H -0.267818 -1.568709 1.644924
H -6.071536 0.617637 -1.105865
H -5.387749 0.029538 -2.632350
H -6.049043 -1.138309 -1.448572
H 4.281970 -0.234011 1.559741
H 2.332158 1.247325 -2.051877


