%chk=000041861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041861

0 1
 O  -0.4841000       2.506100      0.1184000    
 O   0.8962000      -2.813700      0.1700000    
 O   -3.540200      -1.540400      0.1368000    
 N   -2.479400      0.5652000      0.1237000    
 N    2.161500       1.797200      0.1372000    
 N    2.869900     -0.8893000      0.1625000    
 C   -1.128500      0.2101000      0.1339000    
 C  -0.1316000       1.183900      0.1310000    
 C    1.218000      0.8392000      0.1404000    
 C    1.576800     -0.5212000      0.1532000    
 C   0.5727000      -1.486600      0.1561000    
 C  -0.7749000      -1.131000      0.1465000    
 C    3.449100       1.408300      0.1467000    
 C   -3.554300     -0.3142000      0.1249000    
 C    3.798400      8.4100001E-02  0.1592000    
 C  -0.6432000       3.116000      -1.158000    
 C    1.056100      -3.451200      -1.094000    
 C   -4.862400      0.4375000      0.1118000    
 H   -1.470400      -1.956400      0.1518000    
 H   -2.678400       1.562900      0.1199000    
 H    4.188000       2.199500      0.1437000    
 H    4.831300     -0.2399000      0.1668000    
 H   -1.406000       2.598300      -1.748100    
 H   0.3063000       3.124200      -1.702400    
 H  -0.9648000       4.149900      -1.005600    
 H   0.1194000      -3.422200      -1.659800    
 H    1.325500      -4.496400     -0.9191000    
 H    1.856700      -2.976300      -1.669800    
 H   -4.945300       1.053100       1.012000    
 H   -5.695800     -0.2702000      8.8299997E-02
 H   -4.916300       1.075900     -0.7747000    


%chk=000041861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041861

0 1
O -0.876559 2.426651 -0.003231
O 0.536356 -3.046404 -0.243223
O -3.885660 -1.486483 0.162699
N -2.688917 0.534496 0.101530
N 1.976873 1.751433 -0.235314
N 2.728295 -1.006783 -0.343656
C -1.355601 0.091752 -0.041077
C -0.374187 1.115875 -0.127640
C 0.999077 0.757122 -0.222039
C 1.390935 -0.658064 -0.274646
C 0.357924 -1.667162 -0.221066
C -0.985022 -1.278303 -0.090954
C 3.261437 1.362143 -0.293671
C -3.859394 -0.221206 0.200773
C 3.641422 -0.017692 -0.349220
C -0.357497 3.485772 -0.899779
C 1.815115 -3.694414 -0.586060
C -5.132395 0.605881 0.364095
H -1.760207 -2.043896 -0.034285
H -2.759933 1.557569 0.145042
H 4.021359 2.151688 -0.298386
H 4.695772 -0.309676 -0.399399
H -0.498272 3.192663 -1.957813
H 0.708534 3.660250 -0.694514
H -0.966423 4.373114 -0.667187
H 2.201799 -3.328355 -1.551970
H 1.555622 -4.763160 -0.648974
H 2.573972 -3.514044 0.190642
H -5.628631 0.314782 1.306054
H -5.826622 0.361301 -0.458259
H -4.958870 1.695550 0.374828


