%chk=000115436.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115436

2 1
 O   0.8023000     -0.4908000      0.2841000    
 N   -2.842800     -4.1099999E-02 -0.1273000    
 N    3.444800      0.6128000      0.2338000    
 C   -1.508200      0.1159000      0.5037000    
 C   -3.925700      0.6526000      0.7101000    
 C   -2.857100      0.5759000      -1.532300    
 C    3.164500     -0.8817000      0.1698000    
 C  -0.4708000     -0.6067000     -0.3329000    
 C    1.809200      -1.158600     -0.4726000    
 C   -3.214300      -1.525000     -0.2536000    
 C   -3.986000      9.3999999E-03   2.078300    
 C   -2.493600       2.041600      -1.436600    
 C    2.335200       1.304300       1.012800    
 C    4.777100      0.8494000      0.9303000    
 C    3.502600       1.179100      -1.177600    
 C    1.463000      -2.637100     -0.5900000    
 H   -1.267100       1.169100      0.6764000    
 H   -1.512300     -0.3595000       1.490400    
 H   -3.664900       1.705300      0.8392000    
 H   -4.881200      0.5656000      0.1813000    
 H   -2.192100      1.8500000E-02  -2.196900    
 H   -3.875700      0.4621000      -1.923600    
 H    3.187500      -1.253200       1.201800    
 H    3.979000      -1.352100     -0.3934000    
 H    1.810600     -0.7661000      -1.495500    
 H  -0.3814000     -0.1817000      -1.335300    
 H  -0.7395000      -1.659600     -0.4027000    
 H   -2.911700      -2.060500      0.6506000    
 H   -4.295100      -1.601500     -0.4104000    
 H   -2.710800      -1.950100      -1.127300    
 H    2.066200      0.7087000       1.890500    
 H    2.740000       2.258900       1.370600    
 H    1.500600       1.567600      0.3583000    
 H    5.557300      0.3270000      0.3687000    
 H    4.979000       1.924600      0.9488000    
 H    4.708500      0.4561000       1.948900    
 H    4.200800      0.5786000      -1.768100    
 H    2.506800       1.183200      -1.626800    
 H    3.861500       2.211400      -1.111800    
 H   -4.805000      0.4751000       2.640300    
 H   -4.210700      -1.059400       2.058900    
 H   -3.088800      0.1793000       2.678700    
 H   -2.517400       2.459400      -2.451200    
 H   -3.200200       2.646200     -0.8651000    
 H   -1.478900       2.224300      -1.075700    
 H    1.123600      -3.046700      0.3675000    
 H    2.337100      -3.210200     -0.9181000    
 H   0.6817000      -2.822200      -1.334400    


%chk=000115436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115436

2 1
O 0.739808 -0.443799 -0.015457
N -3.040094 -0.102738 -0.131098
N 3.612764 0.590446 0.534648
C -1.554705 0.133352 0.199399
C -3.912152 0.828734 0.773116
C -3.360638 0.212840 -1.626339
C 3.143892 -0.838543 0.153753
C -0.555339 -0.626438 -0.694211
C 1.911617 -0.991235 -0.758037
C -3.430446 -1.560674 0.123131
C -3.866200 0.524218 2.273979
C -3.060846 1.643463 -2.082258
C 2.726850 1.179512 1.637163
C 5.048133 0.477711 1.068893
C 3.611133 1.521622 -0.675106
C 1.760121 -2.485525 -1.108852
H -1.374227 1.218672 0.139184
H -1.402493 -0.186465 1.242973
H -3.565739 1.855597 0.574117
H -4.941185 0.728710 0.385580
H -2.790331 -0.520145 -2.222340
H -4.432370 -0.021093 -1.749319
H 2.969549 -1.369110 1.105753
H 4.001618 -1.307949 -0.357701
H 2.032892 -0.409865 -1.696974
H -0.511091 -0.209306 -1.721396
H -0.802215 -1.703085 -0.753308
H -3.067221 -1.877224 1.110783
H -4.527434 -1.643547 0.088729
H -2.997538 -2.201895 -0.658462
H 2.849666 0.576387 2.549800
H 3.047744 2.214730 1.830087
H 1.683296 1.140602 1.299103
H 5.719928 0.180365 0.249171
H 5.357383 1.455214 1.468785
H 5.076340 -0.276581 1.869982
H 4.167098 1.051572 -1.500885
H 2.574026 1.725572 -0.976916
H 4.102933 2.464972 -0.392456
H -4.517846 1.261162 2.776316
H -4.263734 -0.471026 2.529990
H -2.862661 0.641097 2.716468
H -3.302651 1.705656 -3.158140
H -3.681479 2.401348 -1.578278
H -1.997924 1.921130 -1.978490
H 1.570031 -3.094895 -0.207949
H 2.677646 -2.863093 -1.594034
H 0.941689 -2.652253 -1.828298


