%chk=000045386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045386

0 1
 O  -0.3847000      0.7957000      5.9999999E-02
 N   -4.002100      0.1435000      0.3222000    
 C   0.7897000      0.2164000      0.6118000    
 C   -2.770700      0.8029000     -0.1083000    
 C   -5.163700      0.7459000     -0.2857000    
 C   -1.557000      0.1351000      0.5183000    
 C   0.8860000      -1.242300      0.2154000    
 C    2.031200       1.009000      0.2508000    
 C   -5.264600       2.214400      0.1059000    
 C   -6.425200     -1.6300000E-02  0.1003000    
 C    1.516400      -2.132300       1.066700    
 C    3.101600       1.017800       1.125900    
 C   0.3416000      -1.651100     -0.9888000    
 C    2.061900       1.703500     -0.9442000    
 C    1.605400      -3.475600      0.7014000    
 C    4.243400       1.747200      0.7942000    
 C   0.4305000      -2.994500      -1.354100    
 C    3.203700       2.432700      -1.276100    
 C    1.062400      -3.906600     -0.5088000    
 C    4.294300       2.454600     -0.4068000    
 H   0.6750000      0.2789000       1.704400    
 H   -2.736800       1.858800      0.1804000    
 H   -2.673200      0.7654000      -1.200500    
 H   -5.080500      0.6828000      -1.378500    
 H   -1.595900     -0.9309000      0.2834000    
 H   -1.615200      0.2349000       1.610300    
 H   -4.072600      0.1791000       1.338800    
 H   -6.238300       2.620900     -0.1928000    
 H   -5.175600       2.356800       1.189100    
 H   -4.513500       2.835500     -0.3919000    
 H   -6.354700      -1.068500     -0.1972000    
 H   -7.304400      0.4093000     -0.3957000    
 H   -6.600400      1.8100001E-02   1.181600    
 H    1.937900      -1.810500       2.014100    
 H    3.072600      0.4756000       2.066200    
 H  -0.1276000     -0.9591000      -1.682100    
 H    1.228000       1.692000      -1.639500    
 H    2.096500      -4.186100       1.359900    
 H    5.092200       1.765100       1.471400    
 H   1.4300000E-02  -3.329100      -2.299800    
 H    3.244600       2.981800      -2.212200    
 H    1.133000      -4.952100     -0.7939000    
 H    5.183400       3.022200     -0.6654000    


%chk=000045386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045386

0 1
O -0.367013 0.698056 0.050831
N -4.048695 0.411291 0.518023
C 0.854867 0.123037 0.646020
C -2.771498 0.890714 -0.050368
C -5.285880 0.758242 -0.229160
C -1.607641 0.116705 0.582871
C 1.016932 -1.353758 0.277259
C 2.032800 0.995956 0.199778
C -5.557580 2.285457 -0.338083
C -6.477929 0.027951 0.422136
C 1.006279 -2.354317 1.277356
C 3.358514 0.582857 0.488056
C 1.151324 -1.736821 -1.081659
C 1.823354 2.231370 -0.458250
C 1.136852 -3.720183 0.931885
C 4.456849 1.393960 0.128910
C 1.274362 -3.097812 -1.430723
C 2.924450 3.039539 -0.825087
C 1.270312 -4.094595 -0.423938
C 4.243882 2.627445 -0.530716
H 0.766356 0.190039 1.757024
H -2.584229 1.982473 0.080308
H -2.779801 0.692636 -1.138702
H -5.151445 0.358390 -1.255298
H -1.683936 -0.959588 0.334789
H -1.624283 0.221469 1.692875
H -4.139571 0.650748 1.516491
H -6.449897 2.485570 -0.960646
H -5.736895 2.719796 0.664942
H -4.701317 2.815325 -0.794049
H -6.290837 -1.059125 0.453294
H -7.411404 0.214660 -0.138782
H -6.633767 0.381387 1.460875
H 0.893599 -2.065717 2.330603
H 3.531468 -0.380303 0.983216
H 1.155080 -0.960928 -1.855590
H 0.798715 2.541368 -0.678495
H 1.129079 -4.486635 1.715075
H 5.476123 1.062622 0.358163
H 1.376081 -3.385271 -2.483432
H 2.750608 3.992258 -1.338725
H 1.368662 -5.151662 -0.695855
H 5.095969 3.256295 -0.813020


