%chk=000150503.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150503

0 1
 O   -2.949800      0.3656000     -0.5343000    
 O   -2.124100     -0.7780000       1.324300    
 O   -6.687200      0.6569000       1.142900    
 O   -6.347100       1.090300      -1.694700    
 O   -4.777300      -1.365500       2.113900    
 O   -2.368600       1.038900      -3.135300    
 O    7.122200       1.093600     -0.4658000    
 O    6.279100     -0.7764000      -1.247800    
 N    6.167200      0.2983000     -0.6158000    
 C   -5.658600      4.3600000E-02  0.3643000    
 C   -5.276100       1.008600     -0.7579000    
 C   -4.459100     -0.2670000       1.259900    
 C   -4.011100      0.5326000      -1.476000    
 C   -3.230300     -0.6441000      0.4324000    
 C   -3.543200       1.538800      -2.522700    
 C    1.422400     -0.6578000      0.3046000    
 C  -0.9204000      -1.108500      0.7708000    
 C   0.1970000     -0.2704000      0.8956000    
 C    2.560500      0.1782000      0.4218000    
 C    1.512200      -1.879200     -0.4030000    
 C    3.785800     -0.2092000     -0.1689000    
 C    2.470900       1.399600       1.129400    
 C  -0.8299000      -2.311900      7.3100001E-02
 C   0.1270000      0.9431000       1.592900    
 C   0.3768000      -2.695600     -0.5096000    
 C    1.248600       1.766700       1.708300    
 C    2.734400      -2.246400     -0.9816000    
 C    3.856100      -1.422900     -0.8659000    
 C    4.903200      0.6293000     -4.4300001E-02
 C    3.606400       2.216000       1.236000    
 C    4.813000       1.832600      0.6532000    
 H   -6.088200     -0.8787000     -4.5899998E-02
 H   -5.128200       2.012200     -0.3406000    
 H   -4.243300      0.5918000       1.907700    
 H   -4.182100     -0.4275000      -1.981800    
 H   -3.414200      -1.602900     -6.9399998E-02
 H   -3.297700       2.504600      -2.068400    
 H   -4.297000       1.695700      -3.299400    
 H   -6.902300      4.8099998E-02   1.870200    
 H   -6.478700      0.2065000      -2.078300    
 H   -3.992300      -1.547700       2.658300    
 H   -1.681900      -2.980600     -1.0800000E-02
 H  -0.7997000       1.271500       2.058600    
 H   0.4236000      -3.641800      -1.044600    
 H    1.155800       2.701800       2.257100    
 H    2.822600      -3.182800      -1.530000    
 H    4.687000      -1.879000      -1.373900    
 H    3.560200       3.159800       1.775500    
 H   -1.708900      0.8968000      -2.434900    
 H    5.658000       2.506800      0.7696000    


%chk=000150503-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150503

0 1
O -3.058502 0.703461 -0.458204
O -2.112230 -0.645862 1.217295
O -6.947273 -0.112687 0.890110
O -6.554479 1.063879 -1.710912
O -4.757432 -1.791104 1.785330
O -2.527995 2.041783 -2.903082
O 7.379549 1.092212 -0.342562
O 6.752709 -1.038239 -0.803727
N 6.474222 0.167075 -0.417310
C -5.695079 -0.304502 0.155256
C -5.502537 0.957285 -0.701942
C -4.506906 -0.519101 1.101774
C -4.158440 0.890760 -1.452537
C -3.207856 -0.556321 0.279715
C -3.805977 2.174948 -2.205544
C 1.532324 -0.752570 0.324575
C -0.867843 -1.129431 0.721502
C 0.244357 -0.242766 0.731095
C 2.685709 0.110441 0.328827
C 1.655577 -2.124614 -0.093541
C 3.985336 -0.399643 -0.078423
C 2.524278 1.484713 0.741957
C -0.745558 -2.474600 0.316433
C 0.114614 1.137709 1.128184
C 0.508026 -2.964553 -0.093901
C 1.220894 1.967411 1.131945
C 2.951945 -2.603659 -0.494803
C 4.070544 -1.787574 -0.488686
C 5.085243 0.525989 -0.040604
C 3.655964 2.345437 0.752967
C 4.913275 1.872646 0.369153
H -5.776753 -1.190523 -0.513159
H -5.513197 1.839422 -0.024945
H -4.432199 0.320742 1.822996
H -4.163924 0.033267 -2.158665
H -3.199783 -1.413363 -0.431604
H -3.791363 3.026000 -1.491097
H -4.564640 2.364677 -2.979591
H -7.082908 -0.899577 1.477452
H -7.424222 0.972721 -1.241935
H -4.068338 -1.913738 2.486384
H -1.620862 -3.132152 0.344856
H -0.875013 1.501597 1.415351
H 0.610061 -4.009620 -0.406200
H 1.125834 3.017055 1.431158
H 3.048498 -3.648033 -0.813291
H 5.038818 -2.178433 -0.795555
H 3.535953 3.388050 1.065294
H -1.850445 1.764886 -2.232740
H 5.790724 2.522901 0.373753


