%chk=000059441.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059441

0 1
 Cl   4.411000       4.389200      0.1613000    
 O   -6.482500     -0.3361000     -0.6379000    
 N    1.158400      0.3147000      0.4782000    
 N    3.412600      -2.628100      3.8800001E-02
 N  -0.6724000       1.455400     -5.7000000E-02
 C    1.998400     -0.8024000      0.8469000    
 C    2.552500      -1.527100     -0.3763000    
 C  -0.1916000      0.2758000      0.2662000    
 C    1.576600       1.605200      0.2783000    
 C  -0.9727000     -0.9716000      0.3967000    
 C   0.4158000       2.297600     -5.4600000E-02
 C    2.680000      -3.559500      0.8989000    
 C    3.950200      -3.331100      -1.127700    
 C    2.832500       2.208100      0.3577000    
 C   -2.459900     -0.8004000      0.1176000    
 C   0.4935000       3.673600     -0.3276000    
 C    3.583100      -4.676700       1.393000    
 C    4.715300      -2.383100      -2.035500    
 C    2.891500       3.578200      8.2599998E-02
 C    1.744100       4.300000     -0.2540000    
 C   -2.919000     -0.9676000      -1.172300    
 C   -3.301200     -0.4827000       1.163500    
 C   -4.281200     -0.8099000      -1.427800    
 C   -4.663300     -0.3252000      0.9079000    
 C   -5.153400     -0.4887000     -0.3877000    
 C   -7.318300     -7.7000000E-03  0.4708000    
 H    1.377100      -1.429200       1.488800    
 H    2.809700     -0.4193000       1.477700    
 H    3.112600     -0.7827000     -0.9528000    
 H    1.733000      -1.878900      -1.016500    
 H  -0.5774000      -1.739200     -0.2804000    
 H  -0.8626000      -1.380800       1.409400    
 H    1.800300      -3.981300      0.3969000    
 H    2.341100      -3.075500       1.817800    
 H    3.162100      -3.834300      -1.702000    
 H    4.673400      -4.092900     -0.8190000    
 H    3.719600       1.640300      0.6171000    
 H  -0.3924000       4.243000     -0.5902000    
 H    4.528500      -4.290500       1.789400    
 H    3.798600      -5.415600      0.6150000    
 H    3.086400      -5.218700       2.206100    
 H    5.298400      -2.962400      -2.760500    
 H    5.421400      -1.761700      -1.473800    
 H    4.053300      -1.735100      -2.618300    
 H    1.805700       5.365400     -0.4652000    
 H   -2.245800      -1.215700      -1.987200    
 H   -2.925800     -0.3518000       2.174100    
 H   -4.656900     -0.9381000      -2.439200    
 H   -5.284400     -7.5300001E-02   1.761300    
 H   -8.341700      7.5700000E-02  9.0599999E-02
 H   -7.320500     -0.8041000       1.222700    
 H   -7.055600      0.9659000      0.8983000    


%chk=000059441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059441

0 1
Cl 4.800245 3.843086 -1.259278
O -4.381670 -2.781937 -0.731077
N 1.205948 0.796195 1.267835
N 1.804407 -2.376803 -0.749424
N -0.055481 2.551366 2.040506
C 1.649629 -0.574395 0.960103
C 1.268123 -1.024344 -0.476384
C 0.080200 1.210510 2.012359
C 1.824715 1.961486 0.791445
C -0.861678 0.259958 2.699090
C 1.026904 3.050081 1.283721
C 0.858404 -3.465398 -0.378335
C 2.386706 -2.532969 -2.108473
C 2.986505 2.159681 0.015725
C -1.777235 -0.526729 1.756094
C 1.391024 4.381694 0.984930
C 1.569028 -4.777784 0.003352
C 3.737829 -1.810587 -2.270679
C 3.309262 3.500430 -0.255332
C 2.544868 4.604825 0.204847
C -2.031022 -1.906416 1.970923
C -2.426149 0.111770 0.672615
C -2.901190 -2.628540 1.131980
C -3.301093 -0.595674 -0.182030
C -3.538641 -1.974246 0.048576
C -5.071648 -2.149176 -1.857767
H 1.208062 -1.264747 1.698107
H 2.747417 -0.635117 1.068172
H 1.699303 -0.304961 -1.195308
H 0.161822 -0.972959 -0.593597
H -0.299013 -0.445835 3.340630
H -1.470262 0.887254 3.375955
H 0.120943 -3.657417 -1.197608
H 0.263796 -3.117536 0.486454
H 1.675717 -2.187586 -2.900863
H 2.545012 -3.613053 -2.280351
H 3.609648 1.339934 -0.352187
H 0.791099 5.217580 1.355982
H 2.253165 -4.609034 0.853360
H 2.164028 -5.184648 -0.834294
H 0.827709 -5.547212 0.289629
H 4.147246 -1.979572 -3.283973
H 4.462712 -2.187441 -1.528150
H 3.642024 -0.717284 -2.133496
H 2.859480 5.621070 -0.047538
H -1.549584 -2.422782 2.811130
H -2.249652 1.179774 0.497038
H -3.102751 -3.691721 1.295098
H -3.786959 -0.068528 -1.008667
H -5.666467 -2.951976 -2.317403
H -5.742563 -1.337318 -1.515557
H -4.351818 -1.747867 -2.597789


