%chk=000042458.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042458

0 1
 Cl  -3.768300     -0.1491000       2.121600    
 O   6.7599997E-02 -0.6226000       1.229900    
 O    5.233100     -1.0900000E-02 -0.6215000    
 O   -1.363500       3.132400      -1.264900    
 O   -2.452100       2.585300      0.5699000    
 N   -1.521900       2.458900     -0.2377000    
 C  -0.9982000      0.2736000      0.8355000    
 C  -0.5522000       1.454800      3.8199998E-02
 C   -1.990700     -0.5677000      9.8399997E-02
 C    1.678400      0.6894000     -6.1999999E-02
 C    1.328100     -0.4087000      0.7350000    
 C   0.6800000       1.695900     -0.4007000    
 C    2.996800      0.8171000     -0.5156000    
 C    2.289300      -1.364600       1.073800    
 C   -3.266000     -0.8098000      0.6081000    
 C   -1.612600      -1.116300      -1.126700    
 C    3.952900     -0.1419000     -0.1778000    
 C    3.599500      -1.231200      0.6162000    
 C   -4.164000      -1.601600     -0.1078000    
 C   -2.510600      -1.908000      -1.842700    
 C   -3.786200      -2.150700      -1.333100    
 C    6.160500      -1.024300     -0.2362000    
 H   -1.373400      0.6464000       1.791800    
 H   0.9924000       2.572700     -0.9557000    
 H    3.287700       1.664300      -1.133200    
 H    2.021900      -2.217100       1.692900    
 H  -0.6251000     -0.9487000      -1.547000    
 H    4.291800      -2.010400      0.9163000    
 H   -5.161600      -1.800500      0.2755000    
 H   -2.216400      -2.336400      -2.796300    
 H   -4.485100      -2.767400      -1.890500    
 H    5.880500      -2.002000     -0.6429000    
 H    7.128100     -0.7609000     -0.6760000    
 H    6.299900      -1.050700      0.8499000    


%chk=000042458-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042458

0 1
Cl -3.318424 -1.005682 2.445022
O -0.031361 -0.026325 1.621482
O 5.021079 -0.402781 -0.831508
O -1.127882 3.854021 -1.010858
O -2.744101 2.764015 0.194744
N -1.538310 2.866655 -0.279884
C -1.162092 0.638299 0.865672
C -0.613575 1.781398 0.035519
C -1.924219 -0.413574 0.065851
C 1.596324 0.753341 -0.065685
C 1.195922 -0.160670 0.962695
C 0.675535 1.814985 -0.425170
C 2.889214 0.635877 -0.634701
C 2.085264 -1.152127 1.414686
C -2.906607 -1.230380 0.678556
C -1.654574 -0.643780 -1.307913
C 3.772156 -0.371931 -0.194215
C 3.369021 -1.264609 0.838143
C -3.602510 -2.230744 -0.024670
C -2.334756 -1.643970 -2.033787
C -3.310894 -2.438147 -1.392062
C 5.984256 -1.416237 -0.392374
H -1.803485 1.019097 1.675123
H 1.002809 2.657106 -1.044473
H 3.218858 1.324912 -1.418995
H 1.766503 -1.827977 2.213130
H -0.907991 -0.021359 -1.812173
H 4.042853 -2.047723 1.197380
H -4.359398 -2.833135 0.485555
H -2.108852 -1.798572 -3.093739
H -3.850324 -3.213080 -1.946750
H 5.599184 -2.440322 -0.563992
H 6.876581 -1.248345 -1.012435
H 6.244399 -1.288937 0.676524


