%chk=000064192.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064192

0 1
 O    3.810300       2.488400     -0.6027000    
 O    1.498200      -3.440500     -0.9619000    
 N    1.093900      7.5700000E-02  0.1550000    
 C  -0.3609000      0.2037000      9.2000000E-02
 C   -2.326800      0.6422000      -1.435500    
 C   -2.569100     -0.9577000      0.4982000    
 C   -2.352400       1.517200      0.9293000    
 C  -0.7961000      0.4950000      -1.360900    
 C   -1.037600      -1.100700      0.5673000    
 C  -0.8217000       1.368100      0.9977000    
 C   -2.984900     -0.6617000     -0.9529000    
 C   -2.769000       1.799900     -0.5242000    
 C   -3.010000      0.2084000       1.399200    
 C    1.736200       1.311500     -0.2917000    
 C    1.543600      -1.055500     -0.6560000    
 C    3.262200       1.233700     -0.1999000    
 C   0.9758000      -2.385600     -0.1547000    
 C    3.761900      0.9437000       1.209700    
 C    1.346300      -2.685900       1.292200    
 H   -2.631000      0.8491000      -2.467800    
 H   -3.052500      -1.883200      0.8354000    
 H   -2.673700       2.343100       1.573800    
 H  -0.5182000     -0.3006000      -2.060100    
 H  -0.3858000       1.429500      -1.755500    
 H  -0.7853000      -1.443200       1.568600    
 H   -1.120100      -1.805800     -0.2235000    
 H  -0.4183000       2.339700      0.6979000    
 H  -0.5117000       1.194100       2.036500    
 H   -4.076600     -0.5660000      -1.010400    
 H   -2.714400      -1.490800      -1.618700    
 H   -2.320300       2.740200     -0.8674000    
 H   -3.857000       1.927300     -0.5830000    
 H   -4.102100      0.3085000       1.374700    
 H   -2.732100      2.4999999E-03   2.440100    
 H    1.515600       1.577100      -1.330400    
 H    1.461200       2.176500      0.3174000    
 H    1.379900     -0.9413000      -1.733700    
 H    2.628800      -1.183600     -0.5716000    
 H    3.674100      0.5043000     -0.9030000    
 H   9.3999999E-03  -2.759300     -0.3791000    
 H    3.439400     -3.7400000E-02   1.569300    
 H    3.411100       1.707300       1.912900    
 H    4.856800      0.9724000       1.241300    
 H    1.179100      -1.862500       1.990100    
 H    2.405400      -2.962600       1.362600    
 H   0.7861000      -3.556300       1.653800    
 H    4.779300       2.411200     -0.5751000    
 H    1.303300      -4.292600     -0.5342000    


%chk=000064192-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064192

0 1
O 3.985044 1.946883 -0.511841
O 1.674087 -3.842322 -0.922092
N 0.954443 -0.226362 -0.178401
C -0.518880 0.127894 -0.136199
C -2.566634 0.983190 -1.430824
C -2.871156 -0.759610 0.380557
C -2.274914 1.607093 1.011408
C -1.057402 0.625283 -1.520196
C -1.359781 -1.108915 0.301879
C -0.767602 1.239539 0.930159
C -3.369693 -0.275401 -1.007095
C -2.765865 2.104823 -0.375567
C -3.092342 0.358543 1.431296
C 1.848247 0.890851 -0.591631
C 1.300869 -1.494213 -0.879671
C 3.175472 0.924383 0.194297
C 1.502030 -2.723162 0.039212
C 2.991227 1.278729 1.677097
C 2.704321 -2.615524 0.986114
H -2.919452 1.336109 -2.420515
H -3.430534 -1.668705 0.678678
H -2.407365 2.411087 1.762567
H -0.900233 -0.162049 -2.285025
H -0.483143 1.515337 -1.844576
H -1.001062 -1.453176 1.292525
H -1.224490 -1.943354 -0.412151
H -0.193216 2.153875 0.690013
H -0.402716 0.874222 1.910368
H -4.452047 -0.040449 -0.960615
H -3.241358 -1.078804 -1.760369
H -2.202975 3.011844 -0.675501
H -3.836123 2.388325 -0.319106
H -4.169368 0.610871 1.501427
H -2.769175 0.009766 2.432798
H 2.107675 0.845904 -1.672936
H 1.352823 1.862149 -0.429409
H 0.543878 -1.778029 -1.641452
H 2.248501 -1.353613 -1.434104
H 3.678548 -0.061583 0.102964
H 0.584453 -2.894891 0.636106
H 2.253806 0.594652 2.133113
H 2.614455 2.313543 1.776803
H 3.941225 1.195642 2.239534
H 2.589004 -1.734635 1.641202
H 3.644221 -2.515634 0.412164
H 2.785142 -3.512001 1.631717
H 4.824652 2.092045 -0.006827
H 1.903703 -4.662652 -0.416796


