%chk=000088738.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088738

0 1
 O  -0.8626000       3.130700     -2.4200000E-02
 O  -6.9399998E-02  -3.220700     -0.3262000    
 N    2.399000      0.2562000       1.070900    
 C   0.1436000      4.6700001E-02 -0.6279000    
 C   0.7034000       1.386300     -0.1332000    
 C    1.026300      -1.146800     -0.2498000    
 C   -1.246400     -0.1549000     -9.5500000E-02
 C    1.774400       1.434600      0.6917000    
 C    2.077500      -1.001900      0.5879000    
 C   5.4400001E-02   2.602100     -0.6501000    
 C   0.6977000      -2.435600     -0.8804000    
 C    2.379000       2.686300       1.268000    
 C    2.973400      -2.113100       1.064300    
 C   -1.428900     -0.7973000       1.123300    
 C   -2.335500      0.3026000     -0.8275000    
 C   0.5569000       3.167900      -1.950500    
 C    1.321800      -2.744200      -2.214200    
 C   -2.719800     -0.9850000       1.617400    
 C   -3.626400      0.1149000     -0.3332000    
 C   -3.818400     -0.5288000      0.8892000    
 H   0.1180000      8.1500001E-02  -1.726800    
 H    3.194400      0.3286000       1.695500    
 H    3.418200       2.790100      0.9383000    
 H    2.366700       2.642900       2.362500    
 H    1.845700       3.593600      0.9705000    
 H    4.004400      -1.931300      0.7427000    
 H    2.676300      -3.094200      0.6833000    
 H    2.957600      -2.168200       2.158200    
 H  -0.6030000      -1.141300       1.737700    
 H   -2.200400      0.8026000      -1.782600    
 H    1.368400       2.557500      -2.356800    
 H   0.9329000       4.180100      -1.781500    
 H  -0.2616000       3.184600      -2.674800    
 H    1.982200      -1.933800      -2.535800    
 H    1.911000      -3.661200      -2.132300    
 H   0.5326000      -2.867300      -2.960400    
 H   -2.869500      -1.480100       2.572500    
 H   -4.481900      0.4698000     -0.9003000    
 H   -4.823400     -0.6734000       1.274800    


%chk=000088738-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088738

0 1
O 1.364553 3.784239 -0.068882
O 1.886346 -3.204406 -1.530509
N 2.044479 -0.155089 1.477378
C 0.344413 0.167906 -0.674061
C 1.054852 1.382667 -0.064339
C 1.242965 -1.072034 -0.580720
C -1.051802 -0.078241 -0.023992
C 1.779183 1.169775 1.103963
C 1.961294 -1.243723 0.598156
C 0.913016 2.734569 -0.643606
C 1.291671 -2.079376 -1.660356
C 2.382283 2.223298 2.001725
C 2.736246 -2.470064 1.016268
C -1.793707 0.991410 0.539740
C -1.640996 -1.369023 -0.033948
C 0.202090 2.876286 -1.993281
C 0.611505 -1.751026 -2.993679
C -3.086171 0.781110 1.070911
C -2.933140 -1.583355 0.495580
C -3.665055 -0.507833 1.048259
H 0.152968 0.377230 -1.740554
H 2.542390 -0.302070 2.358049
H 2.853124 1.765134 2.892445
H 1.622457 2.954468 2.321060
H 3.138306 2.814825 1.456687
H 3.183349 -2.336627 2.019798
H 3.536472 -2.692161 0.289228
H 2.092535 -3.364457 1.015244
H -1.355523 1.994430 0.585706
H -1.083932 -2.221765 -0.437271
H 0.736027 2.320062 -2.787570
H 0.177838 3.943506 -2.262088
H -0.833050 2.488839 -1.955419
H 1.043794 -0.840825 -3.451578
H 0.762496 -2.600280 -3.677640
H -0.473774 -1.576588 -2.870577
H -3.638170 1.623004 1.504509
H -3.365906 -2.590313 0.479665
H -4.666828 -0.673003 1.460400


