%chk=000029816.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029816

0 1
 O    3.062500      -1.442800     -0.2864000    
 N   -3.373000     -0.5380000      0.1213000    
 C   -1.551900      0.2991000     -0.5162000    
 C   -2.129900      -1.121100     -0.4400000    
 C   -2.572300      0.6216000      0.5846000    
 C  -5.6400001E-02  0.4650000     -0.1529000    
 C   -1.775400       1.017200      -1.831700    
 C   -3.832900      -1.323700       1.257900    
 C   0.8401000     -0.5781000     -0.3856000    
 C   0.3948000       1.660800      0.4060000    
 C    2.187700     -0.4253000     -5.9400000E-02
 C    1.742100       1.813600      0.7322000    
 C    2.638700      0.7707000      0.4994000    
 C    4.425800      -1.219000      7.0600003E-02
 H   -2.269800      -1.630300      -1.399800    
 H   -1.601200      -1.812200      0.2304000    
 H   -2.180800      0.5477000       1.608700    
 H   -3.085600       1.584800      0.4921000    
 H   -1.561400       2.089500      -1.753000    
 H   -1.143700      0.6044000      -2.627300    
 H   -2.813200      0.9283000      -2.174100    
 H   -4.252400      -2.273500      0.9088000    
 H   -4.633700     -0.7888000       1.780100    
 H   -3.048300      -1.551300       1.989800    
 H   0.5097000      -1.510500     -0.8351000    
 H  -0.2923000       2.482100      0.5908000    
 H    2.092400       2.745400       1.166900    
 H    3.670700      0.9568000      0.7762000    
 H    4.538700      -1.060900       1.148600    
 H    4.867400     -0.4067000     -0.5167000    
 H    4.978900      -2.130600     -0.1782000    


%chk=000029816-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029816

0 1
O 3.140485 -1.390192 -0.412159
N -3.357196 -0.561109 0.198369
C -1.495664 0.272325 -0.501411
C -2.111355 -1.172736 -0.388131
C -2.600765 0.696083 0.540253
C -0.043631 0.455096 -0.088309
C -1.750880 0.898710 -1.894993
C -4.048849 -1.278349 1.276339
C 0.920832 -0.529243 -0.390172
C 0.375784 1.651467 0.557203
C 2.283438 -0.332351 -0.056469
C 1.731422 1.841702 0.888698
C 2.702249 0.856894 0.587557
C 4.562248 -1.243395 -0.092019
H -2.275499 -1.733648 -1.325719
H -1.551119 -1.805696 0.337831
H -2.204891 0.702791 1.581868
H -3.155687 1.631413 0.344260
H -1.516866 1.979271 -1.888702
H -1.114167 0.419711 -2.661283
H -2.810234 0.765483 -2.177581
H -4.474398 -2.219173 0.882588
H -4.884145 -0.662276 1.655931
H -3.382505 -1.531958 2.139510
H 0.641310 -1.465284 -0.885544
H -0.361589 2.424893 0.800682
H 2.045888 2.764533 1.389538
H 3.749670 1.022921 0.855154
H 4.722273 -1.147672 0.999750
H 5.003967 -0.368959 -0.608650
H 5.035172 -2.167050 -0.456389


