%chk=000016438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016438

1 1
 O  -0.8423000      0.1017000       2.605900    
 N    4.019200      0.1272000     -0.5594000    
 C  -0.4744000      6.6500001E-02   1.232100    
 C   -1.238800       1.156600      0.4929000    
 C   -1.005100      -1.192700      0.5549000    
 C   -2.090600      0.5867000     -0.4811000    
 C   -1.947400     -0.8530000     -0.4432000    
 C    3.614100      0.4723000      0.8256000    
 C    3.331400       1.050100      -1.575000    
 C    5.537300      0.2718000     -0.7354000    
 C    3.636100      -1.320900     -0.8952000    
 C   -1.184500       2.529500      0.6829000    
 C  -0.6791000      -2.516100      0.8117000    
 C   0.9787000      0.2088000       1.085700    
 C   -2.889500       1.391100      -1.277900    
 C   -2.567200      -1.838900      -1.194200    
 C    2.167800      0.3268000      0.9660000    
 C   -1.989800       3.339000     -0.1203000    
 C   -1.304000      -3.508600      5.4600000E-02
 C   -2.833200       2.775400      -1.091800    
 C   -2.238500      -3.173300     -0.9389000    
 H    4.146600     -0.1936000       1.514300    
 H    3.928700       1.502500       1.027900    
 H    3.554000       2.086100      -1.302900    
 H    3.734400      0.8251000      -2.567500    
 H    2.253600      0.8670000      -1.570700    
 H    6.027700     -0.4057000     -3.0300001E-02
 H    5.797500      9.9999998E-03  -1.765200    
 H    5.807200       1.310200     -0.5223000    
 H    2.547500      -1.420500     -0.9153000    
 H    4.041300      -1.560300      -1.883400    
 H    4.075700      -1.976600     -0.1376000    
 H  -0.5359000       2.970400       1.432000    
 H   4.0600002E-02  -2.780100       1.579000    
 H   -3.548600      0.9709000      -2.030300    
 H   -3.292500      -1.596200      -1.963800    
 H  -0.6377000      0.9844000       2.959200    
 H   -1.965200       4.418100      6.6000000E-03
 H   -1.066100      -4.553600      0.2351000    
 H   -3.451400       3.425700      -1.705300    
 H   -2.712700      -3.963200      -1.515500    


%chk=000016438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016438

1 1
O -0.250784 -0.405352 2.197130
N 4.411787 -0.117788 -0.459389
C -0.433183 0.035170 0.792650
C -1.396940 1.229303 0.628141
C -1.088459 -1.033911 -0.106815
C -2.451201 0.888943 -0.267217
C -2.260259 -0.507391 -0.721506
C 3.396868 1.083299 -0.457047
C 3.919699 -1.197488 -1.420377
C 5.770767 0.403304 -0.913176
C 4.518374 -0.692824 0.952439
C -1.332910 2.486119 1.247466
C -0.681375 -2.359643 -0.317250
C 0.927582 0.388142 0.338810
C -3.461201 1.829178 -0.554845
C -3.030725 -1.318746 -1.579357
C 2.067103 0.680722 -0.030494
C -2.354337 3.428007 0.961744
C -1.462022 -3.177222 -1.174770
C -3.402592 3.101147 0.066263
C -2.620146 -2.655904 -1.802749
H 3.835600 1.843930 0.214783
H 3.397752 1.482505 -1.488008
H 3.869089 -0.777958 -2.436961
H 4.623258 -2.043635 -1.396047
H 2.917590 -1.521684 -1.103433
H 6.111750 1.183629 -0.215463
H 6.492382 -0.427508 -0.920257
H 5.678969 0.822554 -1.927027
H 3.518715 -1.012313 1.281979
H 5.210998 -1.548089 0.936930
H 4.898216 0.087393 1.629823
H -0.524615 2.731238 1.944418
H 0.199955 -2.766297 0.191477
H -4.281156 1.588310 -1.239454
H -3.934803 -0.933430 -2.062179
H -1.149777 -0.609928 2.567417
H -2.335961 4.413606 1.438146
H -1.176092 -4.220342 -1.345964
H -4.181436 3.841747 -0.144055
H -3.211583 -3.300191 -2.461877


