%chk=000060759.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060759

0 1
 O   -3.743000       2.005200       1.134100    
 O   -4.866000      0.3680000     -0.8074000    
 N    2.325200      -2.086600       1.153500    
 C   0.9395000      -1.901500      0.7183000    
 C   0.5255000     -0.4158000      0.8791000    
 C   0.6763000      -2.395500     -0.7143000    
 C  -0.9202000     -0.2404000      0.4237000    
 C    1.550800      0.5253000      0.2358000    
 C  -0.8100000      -2.324900      -1.049800    
 C   -1.510500      -1.097000     -0.5257000    
 C    3.281700      -1.345500      0.3356000    
 C    2.874500      7.5900003E-02  3.5200000E-02
 C   -1.703200      0.7852000      0.9864000    
 C    1.252500       1.860300     -8.6199999E-02
 C   -2.839500     -0.8757000     -0.9270000    
 C    3.838600      0.9382000     -0.5146000    
 C   -3.020400      0.9944000      0.5784000    
 C   -3.585700      0.1696000     -0.3865000    
 C    2.221100       2.711000     -0.6257000    
 C    3.512900       2.250000     -0.8429000    
 H   0.3173000      -2.503100       1.396000    
 H   0.5554000     -0.1948000       1.957500    
 H    1.024800      -3.428300     -0.8386000    
 H    1.224400      -1.792300      -1.448200    
 H   -1.306900      -3.201200     -0.6134000    
 H  -0.9324000      -2.388200      -2.137800    
 H    2.565300      -3.077300       1.134300    
 H    3.449200      -1.871900     -0.6121000    
 H    4.237000      -1.336200      0.8736000    
 H   -1.270400       1.430100       1.749100    
 H   0.2644000       2.276700      7.5599998E-02
 H   -3.293700      -1.542800      -1.657200    
 H    4.851900      0.5846000     -0.6895000    
 H    1.962500       3.737000     -0.8718000    
 H    4.265100       2.910000      -1.264100    
 H   -3.189300       2.472200       1.783100    
 H   -5.086100     -0.2994000      -1.479800    


%chk=000060759-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060759

0 1
O -3.804083 2.050109 1.180877
O -4.921283 0.513823 -0.758855
N 2.352539 -2.099332 1.176200
C 0.962390 -1.955273 0.695101
C 0.532027 -0.479036 0.895781
C 0.704115 -2.375725 -0.779041
C -0.912985 -0.269442 0.443313
C 1.558375 0.469366 0.229654
C -0.806979 -2.333854 -1.098661
C -1.515441 -1.104165 -0.533915
C 3.370155 -1.357926 0.410619
C 2.911481 0.055155 0.068065
C -1.685258 0.772095 1.021885
C 1.198843 1.777692 -0.186916
C -2.849929 -0.836431 -0.933946
C 3.860329 0.952566 -0.481439
C -3.013169 1.028983 0.629039
C -3.601575 0.218739 -0.380945
C 2.149308 2.666596 -0.731112
C 3.494475 2.255884 -0.873923
H 0.332241 -2.587303 1.352515
H 0.589166 -0.284907 1.986622
H 1.094011 -3.397706 -0.953825
H 1.252040 -1.693151 -1.456019
H -1.288389 -3.237734 -0.668323
H -0.967203 -2.395422 -2.193047
H 2.617600 -3.076698 1.344519
H 3.652799 -1.859272 -0.550291
H 4.295948 -1.305667 1.016405
H -1.234917 1.389572 1.812009
H 0.155847 2.097723 -0.102528
H -3.317272 -1.479476 -1.693898
H 4.899771 0.619801 -0.601703
H 1.841985 3.670713 -1.044660
H 4.243555 2.938322 -1.290777
H -3.291934 2.539937 1.871902
H -5.219983 -0.113255 -1.463981


