%chk=000038129.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038129

1 1
 O    2.781100      0.5710000     -0.7506000    
 N  -0.9686000      -1.913100     -0.1088000    
 C   0.1763000      -1.027200      0.3611000    
 C   -2.245100      -1.523000      0.6223000    
 C   -1.167100      -1.733500      -1.607100    
 C  -0.6384000      -3.368700      0.1884000    
 C    1.468300      -1.402400     -0.3570000    
 C   -2.646500     -9.7099997E-02  0.3843000    
 C    2.632700     -0.5179000      1.8600000E-02
 C   -2.178100      0.9008000       1.231900    
 C   -3.483500      0.2142000     -0.6816000    
 C    3.561800     -0.6158000      0.9909000    
 C    3.867500       1.214100     -0.2475000    
 C   -2.551200       2.226400       1.010800    
 C   -3.856600       1.539900     -0.9026000    
 C    4.383800      0.5242000      0.8245000    
 C   -3.390500       2.546200     -5.6499999E-02
 C    4.254200       2.461700     -0.9212000    
 H  -5.4499999E-02  1.3800000E-02  0.1194000    
 H   0.2724000      -1.137100       1.448000    
 H   -2.081500      -1.708400       1.692100    
 H   -3.039500      -2.208100      0.2981000    
 H  -0.3845000      -2.275100      -2.146200    
 H   -2.129600      -2.174800      -1.884700    
 H   -1.128300     -0.6717000      -1.865100    
 H   -1.537600      -3.964500      1.2000001E-03
 H   0.1562000      -3.719200     -0.4745000    
 H  -0.3455000      -3.454700       1.239000    
 H    1.368000      -1.343100      -1.445500    
 H    1.772600      -2.427200     -0.1188000    
 H   -1.533800      0.6665000       2.074800    
 H   -3.866100     -0.5585000      -1.342200    
 H    3.657600      -1.393500       1.734600    
 H    5.244600      0.8053000       1.414300    
 H   -2.190600       3.009500       1.671300    
 H   -4.512600       1.788600      -1.731700    
 H   -3.682200       3.578300     -0.2278000    
 H    4.492600       2.273000      -1.972500    
 H    3.438800       3.190400     -0.8782000    
 H    5.134200       2.909500     -0.4491000    


%chk=000038129-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038129

1 1
O 2.573355 0.566725 -0.496536
N -0.963297 -1.995163 -0.141503
C 0.293082 -1.186498 0.262017
C -2.220537 -1.415492 0.629376
C -1.199175 -1.912021 -1.643987
C -0.814334 -3.454904 0.271207
C 1.634986 -1.712180 -0.301913
C -2.561023 0.023360 0.322639
C 2.727332 -0.739182 0.033311
C -2.020579 1.078306 1.106320
C -3.487935 0.335795 -0.708474
C 3.915940 -0.811675 0.736554
C 3.717410 1.312020 -0.102182
C -2.375913 2.418792 0.844566
C -3.842665 1.676357 -0.971298
C 4.545100 0.491589 0.647095
C -3.282933 2.720256 -0.198124
C 3.784326 2.731282 -0.559048
H 0.121952 -0.154156 -0.080798
H 0.322041 -1.189208 1.365980
H -1.980340 -1.563022 1.696445
H -3.046470 -2.093747 0.353056
H -0.358553 -2.382994 -2.172861
H -2.131478 -2.445070 -1.887520
H -1.286080 -0.856197 -1.936279
H -1.755322 -3.985943 0.059376
H 0.002800 -3.919610 -0.298583
H -0.593847 -3.505572 1.348729
H 1.576501 -1.837906 -1.400898
H 1.904674 -2.687783 0.136648
H -1.338794 0.854302 1.936013
H -3.953359 -0.468748 -1.291809
H 4.311243 -1.686620 1.249764
H 5.498647 0.781174 1.083096
H -1.960047 3.223391 1.459080
H -4.563247 1.905732 -1.762579
H -3.565036 3.759465 -0.395419
H 3.786665 2.802866 -1.662063
H 2.926736 3.322102 -0.188135
H 4.708971 3.198979 -0.184861


