%chk=000105246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105246

0 1
 O  -0.3396000       1.885300     -0.8660000    
 O   -2.712800       1.247800      0.4415000    
 N   -5.819300     -0.6668000      0.9050000    
 C   0.3621000     -0.6858000      -1.893200    
 C   8.6400002E-02  -2.063800      -1.244100    
 C    1.317100      0.1739000      -1.133100    
 C    4.923100      1.1300000E-02  5.1199999E-02
 C    5.080600     -0.7907000       1.357900    
 C    3.518900      0.5063000     -0.1955000    
 C    2.614700     -0.2843000     -0.9046000    
 C   0.9239000       1.422900     -0.6524000    
 C    3.125600       1.755400      0.2851000    
 C  -0.8555000      -2.887900      -2.125600    
 C  -0.5119000      -1.922500      0.1578000    
 C    1.828200       2.213800      5.6699999E-02
 C    4.189900      -2.035700       1.378200    
 C    6.543800      -1.201100       1.540900    
 C  -0.8849000       2.759900      0.1198000    
 C   -2.393000       2.601200      0.1424000    
 C   -4.117900       1.045200      0.4977000    
 C   -4.388300     -0.4158000      0.8201000    
 C   -6.088000      -1.872800       1.692200    
 C   -6.403200     -0.7959000     -0.4322000    
 H  -0.5962000     -0.1763000      -2.052900    
 H   0.7764000     -0.8391000      -2.899100    
 H    1.025600      -2.623600      -1.155200    
 H    5.604400      0.8726000      6.4199999E-02
 H    5.244000     -0.5974000     -0.8051000    
 H    4.796200     -0.1549000       2.206300    
 H    2.930100      -1.250000      -1.291500    
 H    3.822900       2.381900      0.8350000    
 H   -1.827600      -2.395600      -2.237400    
 H  -0.4285000      -3.027900      -3.124200    
 H   -1.025700      -3.879600      -1.693200    
 H   -1.433000      -1.332600      0.1360000    
 H   0.1868000      -1.436300      0.8457000    
 H  -0.7508000      -2.905300      0.5785000    
 H    1.575100       3.203700      0.4240000    
 H    4.401000      -2.645200       2.264000    
 H    3.129000      -1.772800       1.423400    
 H    4.357000      -2.661900      0.4953000    
 H    6.682600      -1.738200       2.485200    
 H    7.194700     -0.3205000       1.560500    
 H    6.879200      -1.853400      0.7273000    
 H  -0.5144000       2.503400       1.120900    
 H  -0.6224000       3.795100     -0.1234000    
 H   -2.804200       2.851200     -0.8426000    
 H   -2.827900       3.266700      0.8963000    
 H   -4.549100       1.325900     -0.4689000    
 H   -4.548200       1.689900       1.274100    
 H   -3.891700      -1.074700      9.5700003E-02
 H   -3.900900     -0.6247000       1.782500    
 H   -5.710800      -1.758200       2.714700    
 H   -5.627800      -2.764200       1.250600    
 H   -7.166800      -2.045700       1.776300    
 H   -7.480900     -0.9830000     -0.3592000    
 H   -6.297200      0.1263000      -1.011500    
 H   -5.955000      -1.617700      -1.002800    


%chk=000105246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105246

0 1
O -0.376932 1.467966 -0.495600
O -3.042331 1.283169 0.774631
N -6.329326 -0.508072 0.848671
C 0.533482 -0.740151 -2.011387
C 0.066834 -2.095062 -1.387415
C 1.464968 0.061733 -1.116943
C 5.200785 0.025863 -0.058657
C 5.565940 -0.711117 1.268895
C 3.736422 0.425790 -0.166764
C 2.835502 -0.270270 -1.012372
C 0.988686 1.157008 -0.339865
C 3.223291 1.505474 0.592537
C -0.777490 -2.880770 -2.418219
C -0.716040 -1.889743 -0.070127
C 1.863263 1.875376 0.511544
C 4.835272 -2.068288 1.386049
C 7.097499 -0.895684 1.375594
C -0.966527 2.465964 0.402419
C -2.466218 2.472831 0.148857
C -4.460066 1.098700 0.438602
C -4.897062 -0.218046 1.096395
C -6.908525 -1.407577 1.867575
C -6.595142 -0.997183 -0.520375
H -0.364121 -0.141999 -2.249835
H 1.050369 -0.963902 -2.966308
H 0.977618 -2.689510 -1.158859
H 5.841514 0.928037 -0.133995
H 5.477240 -0.632312 -0.906870
H 5.232699 -0.066961 2.109968
H 3.212841 -1.106396 -1.616694
H 3.894501 2.073197 1.249304
H -1.697080 -2.319971 -2.675577
H -0.214459 -3.055714 -3.354956
H -1.084158 -3.864089 -2.015262
H -1.597143 -1.239926 -0.227875
H -0.087867 -1.403470 0.697469
H -1.061321 -2.860439 0.333944
H 1.500944 2.721983 1.102579
H 5.068120 -2.561891 2.348009
H 3.739865 -1.942418 1.320037
H 5.150068 -2.750173 0.571430
H 7.374152 -1.398716 2.320879
H 7.625015 0.076340 1.339120
H 7.475921 -1.517133 0.540638
H -0.765973 2.201775 1.460033
H -0.540435 3.469363 0.189750
H -2.659700 2.474763 -0.945945
H -2.912776 3.394026 0.587702
H -4.580551 1.064634 -0.666448
H -5.074397 1.937141 0.831306
H -4.223092 -1.038259 0.743480
H -4.741689 -0.118556 2.185842
H -6.768247 -0.972945 2.872978
H -6.457602 -2.432764 1.866469
H -7.994138 -1.515620 1.691131
H -7.683826 -1.117762 -0.664014
H -6.237490 -0.268979 -1.268281
H -6.105289 -1.981464 -0.735895


