%chk=000052107.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052107

0 1
 O   -1.397200      0.4663000      0.7265000    
 O    2.465900       1.557400      -1.006400    
 O    1.691400      -2.290200      0.4007000    
 O    4.265100       1.674200      0.4482000    
 O    3.883200      -1.772500     -0.1781000    
 O  -0.3042000      0.8901000       2.701600    
 N   0.8474000      0.5601000      0.7145000    
 C    2.189100      0.7142000       1.221800    
 C    2.768000     -0.6332000       1.660800    
 C    3.103200       1.371500      0.1925000    
 C    2.887900      -1.623900      0.5185000    
 C   -2.652400      0.5434000       1.411400    
 C  -0.2852000      0.6609000       1.496700    
 C   -3.761800      0.3085000      0.4289000    
 C   -4.321100       1.386200     -0.2486000    
 C   -4.220300     -0.9849000      0.2041000    
 C   -5.352200       1.167900      -1.162300    
 C   -5.251300      -1.203100     -0.7097000    
 C   -5.817200     -0.1266000      -1.392800    
 C    3.246500       2.142900      -1.984700    
 C    1.659200      -3.213300     -0.6263000    
 C    3.544700       1.586200      -3.160600    
 C   0.8113000      -3.182100      -1.656500    
 H    2.145300       1.391200       2.083200    
 H    3.771700     -0.5048000       2.084300    
 H    2.160200      -1.083200       2.455700    
 H   0.7235000      0.3524000     -0.2722000    
 H   -2.685800     -0.2100000       2.208300    
 H   -2.760300       1.531400       1.876100    
 H   -3.964900       2.398500     -7.8500003E-02
 H   -3.785000      -1.830900      0.7290000    
 H   -5.792400       2.005800      -1.694800    
 H   -5.613100      -2.211200     -0.8899000    
 H   -6.619800     -0.2966000      -2.104600    
 H    3.586300       3.129300      -1.697400    
 H    2.400700      -3.990900     -0.4978000    
 H    4.159100       2.114100      -3.881000    
 H    3.180800      0.5978000      -3.418400    
 H   0.8438000      -3.949600      -2.421300    
 H   7.5700000E-02  -2.391000      -1.749900    


%chk=000052107-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052107

0 1
O -2.037392 -0.707420 0.952242
O 0.934391 1.115048 -1.119962
O 3.803168 -3.134608 0.870593
O 3.204569 0.610337 -0.848246
O 1.953066 -2.627272 -0.468214
O -0.812450 1.006043 2.023992
N 0.226831 -0.691196 0.780508
C 1.560434 -0.108884 0.870204
C 2.624216 -1.109017 1.366883
C 2.022490 0.544376 -0.450879
C 2.720573 -2.333303 0.476847
C -3.315245 -0.014084 1.336032
C -0.861557 -0.032003 1.309002
C -3.776688 0.923817 0.240756
C -3.265045 2.246135 0.164590
C -4.716811 0.490067 -0.727643
C -3.684135 3.113904 -0.868135
C -5.139480 1.358469 -1.759170
C -4.622865 2.673161 -1.831528
C 1.166168 1.813420 -2.340186
C 4.047425 -4.345213 0.156631
C 0.123660 2.393237 -2.969112
C 5.072614 -5.136844 0.530487
H 1.480817 0.716724 1.606854
H 3.616507 -0.627985 1.408317
H 2.373269 -1.437556 2.391973
H 0.082025 -1.471603 0.134718
H -4.016402 -0.849806 1.485779
H -3.136942 0.518803 2.285866
H -2.532561 2.578077 0.908948
H -5.114887 -0.530869 -0.675253
H -3.286490 4.133971 -0.917189
H -5.868342 1.013812 -2.501209
H -4.952153 3.349380 -2.628744
H 2.209231 1.818717 -2.674953
H 3.354747 -4.535556 -0.669784
H 0.290431 2.929059 -3.907196
H -0.892523 2.341327 -2.565903
H 5.264976 -6.063787 -0.015501
H 5.726159 -4.878580 1.368584


