%chk=000086354.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086354

0 1
 Cl   1.605800      -2.001800     -7.8100003E-02
 O    1.181000       2.085200       1.029600    
 N   0.8246000       1.216500      -1.067300    
 N    3.979900      0.9847000      0.4276000    
 N    4.910700      1.7500000E-02  0.4941000    
 C   -5.083000     -0.9052000      0.4567000    
 C   -3.832900     -0.1435000     -1.3700000E-02
 C   -5.703500      -1.817400     -0.6258000    
 C   -6.173500      0.1007000      0.8848000    
 C   -4.722100      -1.804800       1.658600    
 C   -3.207200      0.6930000      0.8761000    
 C   -3.399800     -0.3354000      -1.301500    
 C   -1.602000       1.215000     -0.8524000    
 C   -2.072800       1.383900      0.4496000    
 C   -2.265400      0.3553000      -1.727900    
 C  -0.3898000       1.953900      -1.308600    
 C    2.746100      0.4958000      0.2307000    
 C    4.198600      -1.100400      0.3287000    
 C    1.546400       1.337600      0.1204000    
 C    2.824100     -0.8489000      0.1580000    
 C    4.890300      -2.402200      0.3418000    
 C    4.384700       2.364400      0.5677000    
 C    5.360000      -2.843700      -1.049200    
 H   -6.589500      -2.334700     -0.2368000    
 H   -6.034600      -1.247900      -1.502200    
 H   -5.006300      -2.597000     -0.9547000    
 H   -7.092300     -0.4175000       1.184200    
 H   -5.864000      0.7157000       1.736900    
 H   -6.427900      0.7805000      6.3100003E-02
 H   -4.383900      -1.228000       2.526200    
 H   -5.588200      -2.392200       1.985700    
 H   -3.922100      -2.508400       1.398600    
 H   -3.555800      0.8407000       1.892400    
 H   -3.874500     -0.9892000      -2.021800    
 H   -1.570500       2.053700       1.142000    
 H   -1.906700      0.2139000      -2.744200    
 H  -0.4421000       2.149300      -2.386000    
 H  -0.3301000       2.933500     -0.8194000    
 H    1.147900      0.5743000      -1.785300    
 H    5.761900      -2.356600       1.007100    
 H    4.236100      -3.177200      0.7582000    
 H    4.145000       2.687200       1.583600    
 H    5.460200       2.446400      0.3894000    
 H    3.847700       2.969200     -0.1673000    
 H    4.513400      -2.946100      -1.736300    
 H    5.869400      -3.810400     -0.9866000    
 H    6.056900      -2.115900      -1.478000    


%chk=000086354-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086354

0 1
Cl 2.358036 -2.110308 -1.065578
O 1.761101 2.642067 -0.330109
N 0.784877 0.712616 -1.201872
N 4.048017 1.122896 0.555466
N 5.030793 0.190355 0.855808
C -5.459662 -0.804128 0.599372
C -4.157344 -0.247936 -0.024257
C -6.508230 -1.194734 -0.473777
C -6.089451 0.281329 1.524206
C -5.130519 -2.072197 1.443876
C -3.080796 0.148388 0.819454
C -3.972886 -0.100876 -1.421413
C -1.709324 0.812961 -1.106596
C -1.882305 0.666385 0.293948
C -2.769186 0.419138 -1.953459
C -0.426251 1.406156 -1.677309
C 2.975059 0.563312 -0.134837
C 4.585614 -1.006398 0.345435
C 1.805114 1.385540 -0.557503
C 3.323153 -0.804680 -0.268191
C 5.413128 -2.257716 0.454413
C 4.261919 2.509572 0.997098
C 6.180272 -2.586328 -0.854056
H -7.417233 -1.583099 0.021186
H -6.809319 -0.326514 -1.088983
H -6.130788 -1.985726 -1.148211
H -7.017401 -0.103257 1.987950
H -5.400729 0.575094 2.336389
H -6.340404 1.190551 0.947879
H -4.417988 -1.848903 2.258258
H -6.053150 -2.474854 1.902581
H -4.684334 -2.861458 0.811451
H -3.181251 0.054184 1.907115
H -4.768486 -0.393939 -2.112871
H -1.072239 0.964629 0.970286
H -2.658918 0.518701 -3.041139
H -0.460351 1.378535 -2.784117
H -0.305048 2.462573 -1.374034
H 0.851597 -0.299440 -1.343264
H 6.131459 -2.123805 1.282744
H 4.758390 -3.109715 0.717684
H 3.459307 2.829545 1.679050
H 5.235777 2.519581 1.509430
H 4.264462 3.195710 0.136824
H 5.482558 -2.743486 -1.695739
H 6.780215 -3.505828 -0.729559
H 6.862944 -1.760995 -1.122330


