%chk=000208021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208021

0 1
Cl 4.858234 -5.309569 -0.006807
O 6.319035 5.849330 0.010066
O -5.459209 0.298358 -0.010554
O -8.638405 1.775621 -0.029112
O -6.645169 2.633297 -0.043583
N 4.352757 1.465751 0.005591
N 1.407294 -1.569082 -0.011047
N -7.419637 1.694678 -0.029273
C 3.380713 0.482976 -0.000093
C 3.788698 -0.911224 -0.001533
C 4.029205 2.914021 0.006652
C 5.319159 3.738733 0.006823
C 2.753081 -1.893445 -0.007079
C 2.015628 0.785785 -0.004340
C 1.062372 -0.266894 -0.009754
C 5.146468 -1.345001 0.002185
C 5.013139 5.237979 0.007412
C 3.095872 -3.287330 -0.008759
C 5.468483 -2.680643 0.000593
C 4.418625 -3.639836 -0.004937
C -0.376260 0.070396 -0.014505
C -1.353761 -0.852082 0.001815
C -2.768706 -0.486864 -0.002908
C -5.156436 -1.069125 0.008685
C -3.752801 -1.406014 0.012806
C -6.320801 -1.823572 0.020077
C -6.864630 0.355249 -0.010574
C -7.416765 -0.911048 0.007635
H 3.411693 3.154607 0.905196
H 3.411190 3.155991 -0.891173
H 5.334775 1.209161 0.008833
H 5.951944 3.501829 0.888954
H 5.951764 3.502335 -0.875558
H 1.664489 1.810089 -0.003202
H 5.944240 -0.600409 0.006368
H 4.464944 5.556842 0.911818
H 4.468107 5.558161 -0.898447
H 2.289245 -4.023758 -0.013144
H 6.503899 -3.018330 0.003421
H -0.597732 1.141110 -0.032381
H -1.114791 -1.925012 0.019109
H 6.236084 6.822373 0.011514
H -3.004514 0.585685 -0.020116
H -3.542811 -2.482223 0.029786
H -6.396740 -2.895785 0.035305
H -8.466667 -1.160414 0.011734


%chk=000208021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208021

0 1
Cl 4.884384 -5.439083 0.004664
O 6.411205 5.912394 0.001319
O -5.541635 0.326054 -0.003964
O -8.886466 1.621525 -0.006922
O -6.851594 2.706525 -0.005188
N 4.381905 1.492715 0.002118
N 1.412238 -1.590877 0.001527
N -7.582763 1.636165 -0.005306
C 3.428838 0.493784 0.001829
C 3.819186 -0.909917 0.002397
C 4.067615 2.927360 0.001524
C 5.365914 3.756071 0.001560
C 2.758607 -1.900569 0.002364
C 2.047827 0.785920 0.000975
C 1.080492 -0.267773 0.000670
C 5.175933 -1.354587 0.003013
C 5.092742 5.263067 0.001081
C 3.106809 -3.293484 0.003054
C 5.501480 -2.715656 0.003678
C 4.444476 -3.668235 0.003709
C -0.344615 0.082466 -0.000099
C -1.366451 -0.842727 -0.001198
C -2.758977 -0.475392 -0.002064
C -5.186241 -1.046919 -0.003930
C -3.795418 -1.392742 -0.003022
C -6.364244 -1.821255 -0.004963
C -6.940787 0.361137 -0.005027
C -7.476108 -0.926473 -0.005628
H 3.456539 3.179859 0.894670
H 3.457079 3.179069 -0.892181
H 5.367986 1.237178 0.003848
H 5.972229 3.512850 0.895164
H 5.972635 3.512291 -0.891602
H 1.694985 1.820445 0.000585
H 6.007320 -0.639546 0.002820
H 4.507420 5.547437 0.902775
H 4.507970 5.546977 -0.901112
H 2.293226 -4.022614 0.003049
H 6.542863 -3.047873 0.004095
H -0.589149 1.154172 0.000221
H -1.085822 -1.904521 -0.001347
H 6.300567 6.896192 0.000984
H -3.011794 0.594413 -0.001935
H -3.575238 -2.467155 -0.003072
H -6.402288 -2.908638 -0.005173
H -8.535577 -1.167331 -0.006460


