%chk=000059037.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059037

0 1
 O   -5.579300       1.230900     -0.7018000    
 O  -0.9062000     -0.2246000       1.349300    
 N   -3.426400     -0.4241000      0.1512000    
 C   -3.202400      0.7454000     -0.7098000    
 C   -4.770300     -0.9710000     -8.1900001E-02
 C   -2.404300      -1.442600     -8.0700003E-02
 C   -4.287400       1.788600     -0.4583000    
 C   -5.818700      0.1126000      0.1536000    
 C   -1.020500     -0.9245000      0.2083000    
 C   0.1451000      -1.029300     -0.4670000    
 C    1.089400     -0.3287000      0.3207000    
 C    2.486800     -0.1006000      0.1103000    
 C   0.4006000      0.1418000       1.414400    
 C    3.253400      -1.035500     -0.5896000    
 C    3.090200       1.059100      0.6034000    
 C    5.214100      0.3466000     -0.3015000    
 C    4.614800     -0.8124000     -0.7951000    
 C    4.451700       1.282300      0.3977000    
 C    6.669300      0.5860000     -0.5231000    
 H   -3.223700      0.4485000      -1.766900    
 H   -2.238100       1.225100     -0.5130000    
 H   -4.964300      -1.807300      0.5994000    
 H   -4.856600      -1.343400      -1.111100    
 H   -2.443800      -1.818400      -1.111700    
 H   -2.576600      -2.298900      0.5835000    
 H   -4.243900       2.179600      0.5656000    
 H   -4.157200       2.634200      -1.141500    
 H   -6.815300     -0.2763000     -7.8400001E-02
 H   -5.828000      0.4463000       1.198500    
 H   0.3064000      -1.537900      -1.407200    
 H   0.6682000      0.7167000       2.290300    
 H    2.813600      -1.950000     -0.9801000    
 H    2.524900       1.817000       1.140300    
 H    5.198300      -1.548400      -1.342100    
 H    4.906300       2.191400      0.7825000    
 H    7.102800       1.170400      0.2955000    
 H    7.222400     -0.3583000     -0.5701000    
 H    6.822100       1.129000      -1.461100    


%chk=000059037-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059037

0 1
O -5.656509 1.169824 -1.049466
O -0.866138 -0.458576 1.788768
N -3.484127 -0.377529 0.089211
C -3.249040 0.553025 -1.042653
C -4.867591 -0.912348 0.050316
C -2.470423 -1.459932 0.175906
C -4.279238 1.692402 -0.999050
C -5.873432 0.250544 0.080035
C -1.091979 -0.965608 0.487521
C 0.089420 -0.902872 -0.229834
C 1.114577 -0.326031 0.630278
C 2.526991 -0.070117 0.287876
C 0.481281 -0.073854 1.843251
C 3.147753 -0.734784 -0.804218
C 3.316673 0.844061 1.038667
C 5.288181 0.411410 -0.376669
C 4.499618 -0.497598 -1.127716
C 4.668708 1.072977 0.716034
C 6.735192 0.688744 -0.744918
H -3.326233 0.024705 -2.028122
H -2.229679 0.972705 -0.959108
H -5.029219 -1.559949 0.933458
H -5.049747 -1.527002 -0.868635
H -2.406706 -2.054214 -0.771334
H -2.798715 -2.153811 0.973997
H -4.136832 2.282442 -0.068548
H -4.182360 2.351723 -1.877366
H -6.908116 -0.114353 -0.030048
H -5.769476 0.803090 1.038491
H 0.212222 -1.210976 -1.266863
H 0.816067 0.316940 2.799933
H 2.575223 -1.461156 -1.392257
H 2.863823 1.392506 1.873045
H 4.952643 -1.031448 -1.972294
H 5.252340 1.783119 1.314857
H 7.331743 0.971395 0.140453
H 7.211036 -0.192640 -1.210067
H 6.809471 1.522487 -1.470431


