%chk=000042699.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042699

0 1
 O    3.182600      -2.122100     -0.7938000    
 O   -2.230400      -1.106300       2.314800    
 N    2.467200       1.766400      0.1893000    
 C    2.868200      0.3981000      0.5147000    
 C    1.735900     -0.5770000      0.3313000    
 C    2.026600       1.852500      -1.202500    
 C    3.570700       2.694400      0.4344000    
 C   0.4786000     -0.2431000      0.8180000    
 C    1.952000      -1.787600     -0.3138000    
 C  -0.5810000      -1.135800      0.6568000    
 C    1.605800       3.268100      -1.558600    
 C    4.001200       2.662800       1.891100    
 C   0.8922000      -2.680200     -0.4748000    
 C  -0.3743000      -2.354300      1.0300000E-02
 C   -1.902300     -0.7957000       1.160000    
 C   -2.912300     -6.9899999E-02  0.3320000    
 C   -2.575400      0.2865000     -0.9529000    
 C   -4.138300      0.2120000      0.8881000    
 C    3.303700      -3.387100      -1.440800    
 C   -3.518300      0.9639000      -1.726000    
 C   -5.081200      0.8892000      0.1148000    
 C   -4.771200       1.265200      -1.192300    
 H    3.152000      0.2995000       1.568700    
 H    3.745100      0.1127000     -7.9800002E-02
 H    2.812200       1.525200      -1.896100    
 H    1.152600       1.219700      -1.389000    
 H    4.433000       2.489500     -0.2127000    
 H    3.259400       3.727600      0.2514000    
 H   0.3085000      0.6970000       1.337500    
 H   0.9330000       3.694500     -0.8066000    
 H    2.459400       3.938400      -1.699400    
 H    1.062200       3.258100      -2.510400    
 H    3.144100       2.729200       2.570100    
 H    4.582300       1.768700       2.137000    
 H    4.649600       3.521400       2.100300    
 H   0.9771000      -3.643500     -0.9659000    
 H   -1.193600      -3.056700     -0.1207000    
 H   -1.612100      7.0699997E-02  -1.402000    
 H   -4.402500     -7.0200004E-02   1.902300    
 H    2.690100      -3.437900      -2.346800    
 H    3.101300      -4.214400     -0.7520000    
 H    4.346800      -3.487400      -1.758600    
 H   -3.277200       1.257100      -2.743600    
 H   -6.057000       1.124000      0.5300000    
 H   -5.505300       1.792500      -1.794300    


%chk=000042699-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042699

0 1
O 3.490991 -2.378148 -0.520515
O -2.758191 -2.260580 0.990231
N 2.239761 1.643612 -0.234416
C 2.796677 0.280323 -0.048896
C 1.735095 -0.816160 -0.083053
C 1.954393 1.916604 -1.671284
C 3.077465 2.691172 0.409812
C 0.374632 -0.538815 0.148684
C 2.119606 -2.171599 -0.305855
C -0.606384 -1.569434 0.172185
C 0.977998 3.087026 -1.893488
C 2.929315 2.718596 1.943203
C 1.158279 -3.214861 -0.288712
C -0.190574 -2.909733 -0.038251
C -2.049214 -1.326441 0.489662
C -2.685716 0.012098 0.219800
C -2.286448 0.851676 -0.854272
C -3.790561 0.399915 1.025102
C 3.953295 -3.750396 -0.754426
C -2.973689 2.058971 -1.109623
C -4.464750 1.612687 0.780848
C -4.057678 2.446940 -0.288966
H 3.304295 0.239047 0.933619
H 3.586007 0.044943 -0.801681
H 2.899924 2.097052 -2.244799
H 1.504819 0.997085 -2.090813
H 4.157129 2.577325 0.133434
H 2.755391 3.670048 0.012704
H 0.112938 0.505896 0.345163
H 0.044900 2.916841 -1.328291
H 1.400248 4.055167 -1.569752
H 0.732019 3.177832 -2.968145
H 1.872644 2.879653 2.218664
H 3.261707 1.774334 2.411492
H 3.537834 3.535399 2.374357
H 1.453762 -4.253891 -0.460528
H -0.945456 -3.701520 0.006093
H -1.462271 0.546723 -1.507465
H -4.106486 -0.272462 1.829608
H 3.488231 -4.181665 -1.661490
H 3.741161 -4.397654 0.117761
H 5.040188 -3.664512 -0.898380
H -2.668619 2.691945 -1.950574
H -5.307900 1.907542 1.415308
H -4.585771 3.387117 -0.484549


