%chk=000019328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019328

0 1
 O   0.5902000      3.9000001E-02 -0.2542000    
 O   0.1715000      -1.535700      -1.936800    
 N    3.048900       1.064000      0.6853000    
 C    2.982800     -0.2595000      5.2800000E-02
 C    1.809400     -0.2879000     -0.9249000    
 C    4.296200     -0.5821000     -0.6730000    
 C  -0.4466000     -0.6334000     -0.9967000    
 C    1.526400      -1.650200      -1.503000    
 C    5.489700     -0.4800000      0.2727000    
 C    5.494300      0.8681000      0.9852000    
 C    4.147600       1.148100       1.647900    
 C   -1.230300      0.4105000      -1.791200    
 C   -1.372400      -1.388800     -5.4800000E-02
 C   -1.853700       1.447300     -0.8933000    
 C   -2.448000      -2.114100     -0.5673000    
 C   -1.145200      -1.356600       1.321100    
 C   -3.131600       1.238700     -0.3949000    
 C   -1.140400       2.594900     -0.5780000    
 C   -3.296700      -2.806900      0.2960000    
 C   -1.993900      -2.049600       2.184400    
 C   -3.069700      -2.774700       1.671800    
 C   -3.708800       2.198500      0.4366000    
 C   -1.717800       3.554500      0.2535000    
 C   -3.002000       3.356200      0.7609000    
 H    2.802300      -1.002600      0.8418000    
 H    1.943300      0.4487000      -1.728500    
 H    4.442500      0.1077000      -1.514700    
 H    4.266600      -1.594400      -1.091800    
 H    2.170000      -1.909400      -2.347600    
 H    1.576400      -2.446700     -0.7522000    
 H    6.423500     -0.6139000     -0.2843000    
 H    5.438200      -1.286100       1.014900    
 H    2.167300       1.259100       1.159400    
 H    6.289800      0.8861000       1.738600    
 H    5.720200       1.661900      0.2619000    
 H    3.978200      0.4481000       2.475200    
 H    4.163200       2.154900       2.079300    
 H   -1.994400     -4.6399999E-02  -2.433500    
 H  -0.5560000      0.9163000      -2.497100    
 H   -2.635000      -2.161600      -1.636500    
 H  -0.3192000     -0.8036000       1.758000    
 H   -3.712300      0.3615000     -0.6599000    
 H  -0.1400000       2.760700     -0.9677000    
 H   -4.132900      -3.373500     -0.1032000    
 H   -1.817700      -2.024700       3.255800    
 H   -3.730200      -3.314500       2.344000    
 H   -4.711500       2.047500      0.8258000    
 H   -1.167600       4.456300      0.5059000    
 H   -3.452000       4.104100       1.407100    


%chk=000019328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019328

0 1
O 0.645576 0.637933 -0.996153
O 0.017425 -1.051305 -2.481978
N 3.022246 0.950344 0.540142
C 2.768535 -0.338627 -0.136919
C 1.910214 -0.070355 -1.383299
C 4.122888 -0.988884 -0.512333
C -0.493530 -0.232519 -1.365523
C 1.417878 -1.348392 -2.115427
C 5.022982 -1.140008 0.739122
C 5.190292 0.215685 1.466566
C 3.807883 0.824556 1.785622
C -1.630257 0.643834 -1.942088
C -0.923335 -1.121671 -0.191683
C -2.217840 1.640934 -0.954869
C -1.508366 -2.386156 -0.450790
C -0.796916 -0.674852 1.145138
C -3.452347 1.383178 -0.307458
C -1.537478 2.851595 -0.662275
C -1.953068 -3.197943 0.616484
C -1.243781 -1.485832 2.212379
C -1.822589 -2.749679 1.951973
C -3.997713 2.309998 0.610152
C -2.078250 3.779787 0.254757
C -3.311906 3.513103 0.894552
H 2.208155 -1.054238 0.520841
H 2.450534 0.622392 -2.054044
H 4.629768 -0.341732 -1.255924
H 3.952637 -1.978554 -0.980473
H 1.954352 -1.555733 -3.053061
H 1.460272 -2.231673 -1.446387
H 6.009578 -1.550048 0.450795
H 4.560958 -1.871878 1.434151
H 2.145406 1.474304 0.663810
H 5.768978 0.084580 2.401100
H 5.746094 0.919946 0.817984
H 3.302164 0.174535 2.546475
H 3.924983 1.829327 2.231833
H -2.412979 -0.044152 -2.309450
H -1.196447 1.161311 -2.816286
H -1.594450 -2.730683 -1.487393
H -0.351589 0.306487 1.338835
H -3.987082 0.449323 -0.520279
H -0.577932 3.053716 -1.150580
H -2.397497 -4.177954 0.408107
H -1.143546 -1.130358 3.244128
H -2.168337 -3.378847 2.780097
H -4.953969 2.094021 1.100301
H -1.541724 4.711814 0.467351
H -3.734272 4.235168 1.602778


