%chk=000091876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091876

0 1
 O  -6.8000004E-02  -1.271800       1.380800    
 N  -0.6934000      -1.652400     -0.8290000    
 C  -2.2299999E-02  0.5600000     -0.1663000    
 C   -1.418000       1.097700     -0.5526000    
 C   0.4789000       1.377400       1.045800    
 C   0.8893000      0.6180000      -1.410900    
 C    1.982100       1.588500       1.214100    
 C    2.139600     -0.2680000      -1.386500    
 C    2.849400      0.3563000       1.001400    
 C    3.257100      0.1807000     -0.4562000    
 C  -0.2638000     -0.8770000      0.2343000    
 C   -2.370000      0.9671000      0.6448000    
 C   -1.287300       2.539900      -1.038100    
 C   -3.768400       1.409100      0.3317000    
 C  -0.9727000      -3.065600     -0.7148000    
 C  -0.7324000      -3.560100      0.7015000    
 H   -1.847500      0.5288000      -1.387200    
 H   0.1181000      0.9387000       1.985800    
 H   6.9100000E-02   2.389600       1.068700    
 H    1.235900       1.645900      -1.575800    
 H   0.3269000      0.3555000      -2.316600    
 H    2.147900       1.952900       2.236700    
 H    2.314000       2.402600      0.5574000    
 H    2.552800     -0.2849000      -2.403900    
 H    1.886700      -1.309700      -1.165000    
 H    2.383800     -0.5495000       1.399600    
 H    3.773400      0.4991000       1.577100    
 H    3.693100       1.114100     -0.8340000    
 H    4.059000     -0.5668000     -0.5042000    
 H   -2.029900       1.557000       1.502500    
 H   -2.441300     -7.0900001E-02  0.9859000    
 H   -1.101700       3.268800     -0.2458000    
 H   -2.234700       2.849100      -1.497800    
 H  -0.5439000       2.680100      -1.825200    
 H   -4.431200       1.198800       1.178000    
 H   -4.168600      0.8823000     -0.5408000    
 H   -3.824700       2.485000      0.1401000    
 H  -0.8278000      -1.247900      -1.748300    
 H   -2.013700      -3.223300      -1.012400    
 H  -0.3275000      -3.589800      -1.426300    
 H   0.3155000      -3.480600       1.009200    
 H   -1.409100      -3.105900       1.432700    
 H  -0.9593000      -4.633600      0.7272000    


%chk=000091876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091876

0 1
O 0.411599 -1.337552 1.538084
N -0.498276 -1.788360 -0.538847
C 0.124950 0.585467 -0.047676
C -1.364608 1.079617 -0.328016
C 0.747832 1.422458 1.121568
C 0.949269 0.661326 -1.383581
C 2.236910 1.841179 1.031134
C 2.251074 -0.182043 -1.459119
C 3.254605 0.698626 0.782304
C 3.476390 0.402960 -0.719413
C 0.034669 -0.916607 0.399086
C -2.269103 0.949505 0.931979
C -1.422895 2.507495 -0.924580
C -3.780869 1.035447 0.625226
C -0.686503 -3.227006 -0.283675
C -2.173954 -3.621322 -0.161767
H -1.793467 0.399461 -1.098633
H 0.613275 0.835292 2.048081
H 0.160605 2.352113 1.243695
H 1.197228 1.720752 -1.587176
H 0.286129 0.346714 -2.219299
H 2.479323 2.339484 1.991829
H 2.373259 2.616591 0.247815
H 2.519997 -0.297917 -2.529358
H 2.050949 -1.203686 -1.081800
H 2.918627 -0.216132 1.309008
H 4.230521 0.981509 1.225351
H 3.786620 1.344754 -1.219759
H 4.322104 -0.305327 -0.834889
H -1.996677 1.735101 1.664059
H -2.063858 -0.017505 1.430752
H -0.990320 3.256411 -0.235791
H -2.470026 2.801150 -1.118002
H -0.880840 2.575202 -1.883592
H -4.376789 0.886473 1.544437
H -4.082153 0.254719 -0.099850
H -4.066331 2.016111 0.202388
H -0.786930 -1.418057 -1.445514
H -0.201819 -3.808243 -1.092708
H -0.153776 -3.443642 0.657718
H -2.650526 -3.078118 0.672894
H -2.733271 -3.393358 -1.088628
H -2.267545 -4.705842 0.031865


