%chk=000027124.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027124

0 1
 O   0.5535000      -1.025700      0.2736000    
 O   -3.660700       1.903300       1.112300    
 N    2.632700       1.666800     -0.3869000    
 N    2.472100      0.2839000     -0.2207000    
 C    1.409900       2.267300     -8.8100001E-02
 C   0.4517000       1.362300      0.1733000    
 C    1.125900      3.1700000E-02  6.0800001E-02
 C    3.556600     -0.6109000     -3.9500002E-02
 C    3.449100       2.142800      -1.499600    
 C    1.266600       3.753800     -0.1274000    
 C  -0.9283000       1.530800      0.4928000    
 C    3.357000      -1.990500     -0.1489000    
 C    4.833900     -0.1204000      0.2492000    
 C   -1.875600      0.6304000      0.1766000    
 C    4.424100      -2.871200      2.8899999E-02
 C    5.900900      -1.001100      0.4269000    
 C    5.696000      -2.376500      0.3167000    
 C   -3.297900      0.8841000      0.5353000    
 C   -4.300800     -0.1347000      0.1413000    
 C   -3.913400      -1.457500      5.9400000E-02
 C   -5.592700      0.2690000     -0.1316000    
 C   -4.856700      -2.416000     -0.3109000    
 C   -6.536000     -0.6896000     -0.5019000    
 C   -6.167900      -2.032100     -0.5915000    
 H    2.842200       2.226300      -2.408900    
 H    4.289700       1.487000      -1.739200    
 H    3.859900       3.131200      -1.268000    
 H    2.004100       4.222200      0.5326000    
 H   0.2771000       4.087200      0.1984000    
 H    1.422200       4.131100      -1.143200    
 H   -1.198800       2.453600      0.9981000    
 H    2.390200      -2.414200     -0.4005000    
 H    5.028600      0.9401000      0.3810000    
 H   -1.634100     -0.2522000     -0.4009000    
 H    4.266300      -3.941800     -6.3000001E-02
 H    6.889900     -0.6168000      0.6593000    
 H    6.526700      -3.062100      0.4556000    
 H   -2.915900      -1.803800      0.3082000    
 H   -5.893400       1.310800     -7.1000002E-02
 H   -4.573100      -3.462700     -0.3719000    
 H   -7.556900     -0.3909000     -0.7210000    
 H   -6.902800      -2.778700     -0.8779000    


%chk=000027124-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027124

0 1
O 0.648185 -1.139107 -0.381620
O -3.724784 2.149527 0.065247
N 2.729673 1.739416 -0.320942
N 2.535086 0.329244 -0.441130
C 1.467865 2.335512 -0.263871
C 0.468078 1.351105 -0.251326
C 1.122995 0.033921 -0.370492
C 3.595761 -0.589550 -0.169944
C 3.871035 2.342260 -1.040827
C 1.329872 3.830172 -0.260854
C -0.954344 1.563466 -0.126371
C 3.580068 -1.851887 -0.814431
C 4.626763 -0.267753 0.751042
C -1.912282 0.576877 -0.137413
C 4.604216 -2.782088 -0.539254
C 5.656585 -1.200224 0.998539
C 5.651352 -2.459895 0.355649
C -3.344330 0.929081 -0.012769
C -4.370565 -0.175203 0.017966
C -4.034795 -1.557124 0.018316
C -5.742705 0.196334 0.056723
C -5.048773 -2.539074 0.056403
C -6.753817 -0.783124 0.091370
C -6.409723 -2.157235 0.091292
H 3.719185 2.310503 -2.137238
H 4.797512 1.803719 -0.792807
H 3.975340 3.388295 -0.714338
H 1.955197 4.295304 0.522891
H 0.283086 4.110327 -0.069440
H 1.618681 4.274832 -1.232432
H -1.319658 2.595111 -0.016653
H 2.765402 -2.095413 -1.500098
H 4.597281 0.684549 1.291859
H -1.598947 -0.464241 -0.242861
H 4.585906 -3.759966 -1.032301
H 6.451665 -0.948895 1.709140
H 6.447850 -3.184152 0.556583
H -2.989351 -1.879280 -0.003874
H -5.980002 1.265474 0.060245
H -4.777008 -3.600498 0.059644
H -7.807122 -0.482224 0.118885
H -7.194530 -2.921800 0.119291


