%chk=000125060.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125060

0 1
 O   -1.047900     -0.4096000       2.250200    
 O   -1.994500       3.345600      0.2407000    
 O   0.4933000       1.013900      -3.343600    
 N   -2.023500       1.034800      0.6938000    
 N    2.085500      0.7343000      -1.722600    
 C   -1.375300      -1.250300     -5.0400000E-02
 C   -1.039500     -2.9999999E-02  0.8743000    
 C   -2.900800      -1.592700      0.1133000    
 C   -1.112400     -0.9480000      -1.565900    
 C  -0.6182000      -2.525000      0.3950000    
 C   -3.826200     -0.3958000     -0.1173000    
 C   -3.448400      0.7692000      0.7831000    
 C   0.2228000      0.7495000      0.6033000    
 C   -1.457000       2.266800      0.4239000    
 C   0.3393000     -0.9963000      -2.047900    
 C  -3.3000000E-03   2.053000      0.3727000    
 C   -1.045200      -3.713500     -0.4310000    
 C    1.594200      0.2210000      0.6601000    
 C   0.9409000      0.3576000      -2.400100    
 C    2.488300      0.3328000     -0.4285000    
 C    2.092500     -0.2336000       1.892100    
 C    3.856900      9.7499996E-02 -0.2390000    
 C    3.447400     -0.5317000       2.051100    
 C    4.330900     -0.3495000      0.9924000    
 H   -3.088300      -1.986200       1.121300    
 H   -3.220600      -2.364100     -0.5954000    
 H   -1.544500      2.7300000E-02  -1.822400    
 H   -1.682300      -1.662000      -2.175000    
 H  -0.8361000      -2.753700       1.446100    
 H   0.4663000      -2.405600      0.3485000    
 H   -3.773800     -8.3800003E-02  -1.166800    
 H   -4.865600     -0.6867000      7.2499998E-02
 H   -4.012300       1.667800      0.5131000    
 H   -3.672300      0.5339000       1.829600    
 H   0.3478000      -1.544800      -3.001800    
 H    1.007800      -1.579000      -1.416800    
 H   0.7136000       2.835400      0.1842000    
 H   -1.149500      0.4033000       2.774000    
 H   -2.064200      -4.046500     -0.2175000    
 H  -0.9275000      -3.574000      -1.507500    
 H  -0.4048000      -4.565000     -0.1683000    
 H    2.726600       1.349100      -2.217900    
 H    1.446600     -0.3171000       2.762400    
 H    4.558600      0.2212000      -1.060700    
 H    3.817000     -0.8737000       3.013600    
 H    5.388700     -0.5572000       1.124700    


%chk=000125060-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125060

0 1
O -1.103580 -0.433284 2.288640
O -2.177824 3.371770 0.028075
O 0.510620 1.131039 -3.366812
N -2.089647 1.093365 0.693464
N 2.087773 0.830030 -1.701629
C -1.396582 -1.225402 -0.020232
C -1.077977 0.036097 0.879921
C -2.919699 -1.556803 0.174223
C -1.144039 -0.889075 -1.532039
C -0.567048 -2.457434 0.465644
C -3.879489 -0.381525 -0.116446
C -3.526158 0.816860 0.787717
C 0.235047 0.791031 0.558694
C -1.536662 2.313234 0.279097
C 0.328378 -0.930766 -2.055678
C -0.062576 2.077470 0.210966
C -0.743358 -3.741043 -0.377660
C 1.601725 0.215986 0.658174
C 0.942527 0.428599 -2.406413
C 2.523592 0.333911 -0.430405
C 2.059451 -0.374320 1.867261
C 3.875015 -0.053051 -0.265265
C 3.405875 -0.764172 2.024428
C 4.323407 -0.582080 0.963144
H -3.068324 -1.888327 1.220870
H -3.175453 -2.411936 -0.477868
H -1.576547 0.098240 -1.779243
H -1.731381 -1.621589 -2.115278
H -0.854539 -2.664137 1.511990
H 0.507396 -2.203561 0.502171
H -3.822890 -0.076838 -1.177691
H -4.922865 -0.693885 0.078355
H -4.051705 1.741170 0.491127
H -3.795573 0.583760 1.837822
H 0.327230 -1.470879 -3.021694
H 0.983254 -1.498541 -1.377374
H 0.633448 2.867779 -0.069212
H -1.138068 0.380186 2.857795
H -1.784952 -4.108713 -0.367953
H -0.446790 -3.592613 -1.432009
H -0.108863 -4.548263 0.032523
H 2.570500 1.638922 -2.106373
H 1.346935 -0.506324 2.686762
H 4.560140 0.038431 -1.115509
H 3.739004 -1.200246 2.972101
H 5.372272 -0.874474 1.081419


