%chk=000042276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042276

1 1
 O    1.046700       1.627400      0.8112000    
 O   -1.987600      0.8104000      -1.892400    
 O   0.5593000       1.999200      -1.413500    
 N    4.432600      0.3384000     -8.2699999E-02
 C    2.935600      0.2849000      0.1857000    
 C    5.183500      0.3911000       1.240000    
 C    4.854100     -0.9026000     -0.8563000    
 C    4.757400       1.580300     -0.9003000    
 C    2.437900       1.676400      0.5240000    
 C    6.670800      0.4442000      0.9669000    
 C    4.528900      -2.133600     -3.8899999E-02
 C   -1.992000      0.5211000     -0.4810000    
 C   -1.237900       1.702900      0.1843000    
 C   0.2100000       1.805400     -0.2563000    
 C   -1.255100     -0.7971000     -0.2030000    
 C   -3.471400      0.4074000     -7.9499997E-02
 C   -1.196900      -1.303000       1.095700    
 C   -4.286700     -0.5496000     -0.6840000    
 C  -0.6442000      -1.488900      -1.249000    
 C   -3.998700       1.260800      0.8899000    
 C  -0.5277000      -2.500500       1.348400    
 C   -5.629100     -0.6531000     -0.3196000    
 C   2.4900001E-02  -2.686500     -0.9961000    
 C   -5.341200       1.157200       1.254400    
 C   8.3099999E-02  -3.192200      0.3026000    
 C   -6.156200      0.2003000      0.6496000    
 H    2.434300     -9.0200000E-02 -0.7143000    
 H    2.731100     -0.4044000       1.012200    
 H    4.886800       1.306200       1.762900    
 H    4.898200     -0.4516000       1.875400    
 H    5.911300     -0.8432000      -1.128400    
 H    4.280700     -0.9082000      -1.791500    
 H    5.744400       1.458500      -1.357900    
 H    4.764200       2.468800     -0.2619000    
 H    4.031600       1.662800      -1.716400    
 H    2.912800       2.058700       1.432300    
 H    2.601000       2.428500     -0.2525000    
 H    7.188800      0.5656000       1.926600    
 H    6.985000       1.293200      0.3558000    
 H    7.070400     -0.4786000      0.5394000    
 H    4.758500      -3.016700     -0.6480000    
 H    3.474300      -2.229400      0.2288000    
 H    5.141800      -2.235800      0.8599000    
 H   -1.252600       1.623800       1.278800    
 H   -1.697200       2.665500     -7.6700002E-02
 H   -1.083400       1.019300      -2.178700    
 H   -1.663300     -0.7778000       1.924500    
 H   -3.895400      -1.220100      -1.444400    
 H  -0.6675000      -1.133500      -2.274200    
 H   -3.410200       2.021200       1.390600    
 H  -0.4811000      -2.893600       2.359700    
 H   -6.264100      -1.397300     -0.7911000    
 H   0.5015000      -3.225300      -1.809900    
 H   -5.752700       1.821200       2.009000    
 H   0.6054000      -4.123900      0.4995000    
 H   -7.201500      0.1198000      0.9333000    


%chk=000042276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042276

1 1
O 0.963574 1.988722 1.145277
O -1.645329 0.682881 -2.078260
O 0.873749 1.672393 -1.152676
N 4.202347 0.315430 0.059602
C 2.913685 0.527067 0.882269
C 5.399324 0.921245 0.836864
C 4.378165 -1.215373 -0.179318
C 4.068702 0.971218 -1.322148
C 2.443868 1.998118 1.007791
C 6.762951 0.758580 0.158135
C 4.436908 -2.081468 1.082595
C -1.796260 0.422161 -0.637910
C -1.225189 1.672626 0.144815
C 0.261969 1.790531 -0.055292
C -1.051461 -0.877517 -0.259900
C -3.311017 0.343385 -0.363995
C -0.508484 -1.103607 1.032247
C -4.201243 1.074533 -1.189638
C -0.940238 -1.903335 -1.233657
C -3.826151 -0.390201 0.732924
C 0.140530 -2.323595 1.339996
C -5.587424 1.068796 -0.920924
C -0.290762 -3.119617 -0.929083
C -5.213056 -0.389463 1.003112
C 0.255061 -3.335789 0.359376
C -6.098294 0.341440 0.178886
H 2.129526 -0.069041 0.387459
H 3.094491 0.094246 1.878173
H 5.157109 1.990544 0.967045
H 5.395604 0.448321 1.833149
H 5.300740 -1.321313 -0.772371
H 3.525174 -1.508347 -0.816649
H 4.763585 0.481152 -2.018518
H 4.319507 2.039774 -1.254869
H 3.029195 0.863122 -1.667260
H 2.794929 2.481860 1.930206
H 2.711909 2.607306 0.128838
H 7.512043 1.287543 0.773192
H 6.797338 1.209398 -0.847603
H 7.088174 -0.292899 0.092693
H 4.633562 -3.119484 0.760591
H 3.484941 -2.097841 1.637400
H 5.256373 -1.800116 1.765779
H -1.467444 1.636385 1.217561
H -1.723348 2.560431 -0.286164
H -0.692880 0.924093 -2.248601
H -0.606815 -0.345681 1.817953
H -3.802794 1.615170 -2.052678
H -1.375643 -1.733433 -2.223106
H -3.158172 -0.983477 1.366288
H 0.519655 -2.495663 2.354655
H -6.268495 1.628135 -1.571458
H -0.228358 -3.906279 -1.689029
H -5.601838 -0.965533 1.849807
H 0.732993 -4.291289 0.603166
H -7.173791 0.337554 0.386162


