%chk=000042591.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042591

0 1
 Cl   7.517400     -0.2921000      -2.557400    
 O   0.1858000      -4.474900      0.9894000    
 O   -2.124100      0.6641000      -1.004100    
 O    2.980600       2.652700       1.292300    
 O   -4.718100      -1.043600     -0.9860000    
 O   -3.875500       3.323800     -0.3756000    
 O   -5.680800      0.8708000      -1.838500    
 N    1.666600      0.8532000      0.8944000    
 C  -0.5244000      0.4374000       1.182600    
 C   0.1403000     -0.8057000       1.067200    
 C   0.4207000       1.425800       1.068000    
 C    1.503700     -0.5365000      0.8839000    
 C   -1.989400      0.6387000       1.386800    
 C  -0.3059000      -2.143500       1.101200    
 C    2.430600      -1.587500      0.7443000    
 C   0.1865000       2.888600       1.121500    
 C   -2.728800      0.7416000      6.6900000E-02
 C    2.869600       1.572300      0.7223000    
 C   -4.236100      0.9860000      0.1162000    
 C   0.6152000      -3.182800      0.9566000    
 C    1.965000      -2.905900      0.7818000    
 C    4.015300       1.112300     -8.6000003E-02
 C   -4.562000       2.473900      0.1917000    
 C   -4.967000      0.2993000      -1.024600    
 C    5.261500      0.9267000      0.5125000    
 C    3.852100      0.8637000      -1.448800    
 C   -5.794200       2.861800      0.9681000    
 C    6.344500      0.4922000     -0.2517000    
 C    4.935100      0.4293000      -2.213100    
 C   -1.212500      -4.689100       1.172000    
 C    6.181200      0.2436000      -1.614500    
 C   -5.364000      -1.820200      -1.999700    
 C   -4.988900      -3.275800      -1.819700    
 H   -2.412200     -0.2030000       1.946600    
 H   -2.182900       1.545500       1.969000    
 H   -1.368900      -2.300500       1.239400    
 H    3.492500      -1.409400      0.6280000    
 H  -0.8708000       3.142200      0.9992000    
 H   0.7192000       3.405400      0.3163000    
 H   0.5147000       3.296500       2.082900    
 H   -4.607700      0.5269000       1.041900    
 H    2.677700      -3.720500      0.6764000    
 H    5.400200       1.114700       1.574000    
 H    2.886800       1.007100      -1.927600    
 H   -5.683300       2.550100       2.009700    
 H   -6.674300       2.390400      0.5244000    
 H   -5.921700       3.947400      0.9378000    
 H    7.309500      0.3511000      0.2283000    
 H    4.793300      0.2399000      -3.274000    
 H   -1.554300      -4.315300       2.143200    
 H   -1.795400      -4.279400      0.3399000    
 H   -1.375900      -5.771900       1.172200    
 H   -5.039000      -1.473800      -2.987100    
 H   -6.450000      -1.704100      -1.912300    
 H   -3.903300      -3.404700      -1.884400    
 H   -5.292200      -3.632100     -0.8297000    
 H   -5.465100      -3.899800      -2.581000    


%chk=000042591-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042591

0 1
Cl 7.527760 -0.009932 -2.846816
O 0.153309 -4.541319 0.678745
O -2.215404 0.631149 -1.037349
O 3.220088 2.518002 1.778517
O -4.984954 -1.077974 -0.649309
O -3.709888 3.245895 1.001423
O -5.477352 0.817784 -1.912263
N 1.791827 0.829023 1.006506
C -0.461991 0.483579 1.252982
C 0.170212 -0.804809 1.019025
C 0.528868 1.459378 1.262163
C 1.573086 -0.582288 0.874726
C -1.935671 0.707791 1.411099
C -0.363154 -2.116387 0.954087
C 2.470554 -1.662906 0.731699
C 0.384332 2.946432 1.408886
C -2.723029 0.752022 0.098058
C 3.042382 1.513969 1.030225
C -4.264076 0.988389 0.264011
C 0.535551 -3.189350 0.771525
C 1.939118 -2.964007 0.674760
C 4.112543 1.050998 0.089407
C -4.571157 2.504811 0.458700
C -4.993491 0.295776 -0.886346
C 5.464997 1.287162 0.448589
C 3.812778 0.509484 -1.188693
C -5.929434 3.021544 0.041145
C 6.511370 0.957761 -0.435441
C 4.849424 0.191922 -2.090784
C -1.274176 -4.840884 0.772897
C 6.184006 0.412494 -1.694250
C -5.502108 -1.944371 -1.759058
C -5.219352 -3.387335 -1.356607
H -2.393070 -0.088316 2.036753
H -2.159876 1.659693 1.931177
H -1.441186 -2.277538 1.045463
H 3.550984 -1.518937 0.663688
H -0.682121 3.225377 1.382517
H 0.894018 3.486507 0.590246
H 0.833097 3.310140 2.348779
H -4.573227 0.493783 1.207645
H 2.593788 -3.832019 0.555093
H 5.681355 1.740214 1.421241
H 2.772494 0.346048 -1.486060
H -6.738881 2.386684 0.448407
H -6.020842 2.968184 -1.059166
H -6.050782 4.059132 0.386978
H 7.555669 1.126243 -0.158764
H 4.624414 -0.215549 -3.080221
H -1.688675 -4.531917 1.753105
H -1.845024 -4.347530 -0.039775
H -1.348729 -5.933308 0.667514
H -4.984812 -1.650203 -2.689126
H -6.581216 -1.739227 -1.878627
H -4.135012 -3.553641 -1.232733
H -5.726234 -3.643132 -0.410374
H -5.586202 -4.071590 -2.142920


