%chk=000031521.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031521

0 1
 O  -0.9991000      -1.143700     -0.5725000    
 O   -3.157700     -0.8420000      0.4572000    
 O   0.8241000       1.044200      -1.054100    
 O    1.740600      0.7193000       1.057700    
 N    3.073700      0.6222000     -0.8384000    
 C   -2.218500      -1.782400     -0.1202000    
 C   -1.243200      0.1579000     -0.2547000    
 C   -2.475400      0.3302000      0.3332000    
 C   -1.854900      -2.815800      0.9450000    
 C   -2.884800      -2.453800      -1.320400    
 C  -0.3890000       1.218600     -0.4751000    
 C   -2.921900       1.572500      0.7333000    
 C  -0.8171000       2.488000     -7.9200000E-02
 C   -2.076200       2.663900      0.5216000    
 C    1.883600      0.7847000     -0.1596000    
 C    4.333000      0.3452000     -0.1873000    
 C    4.508600      -1.132500     -7.3600002E-02
 C    4.674100      -1.776600       1.087200    
 H   -2.745400      -3.330900       1.320100    
 H   -1.146100      -3.554600      0.5565000    
 H   -1.376800      -2.329500       1.803200    
 H   -3.143700      -1.708600      -2.081500    
 H   -2.214300      -3.179000      -1.793300    
 H   -3.813900      -2.955700      -1.030400    
 H   -3.893400       1.703900       1.196000    
 H  -0.1769000       3.353100     -0.2337000    
 H   -2.392500       3.658800      0.8232000    
 H    3.059200      0.6892000      -1.851700    
 H    5.128000      0.7698000     -0.8080000    
 H    4.352300      0.8399000      0.7896000    
 H    4.516900      -1.711900     -0.9936000    
 H    4.804500      -2.853100       1.104400    
 H    4.681200      -1.247400       2.033700    


%chk=000031521-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031521

0 1
O -0.806524 -0.910501 -0.510745
O -3.128287 -0.838186 0.098333
O 0.923356 1.566116 -0.682018
O 1.526312 0.291742 1.242495
N 3.046837 0.794388 -0.484103
C -1.949944 -1.782277 -0.032947
C -1.209063 0.409897 -0.239698
C -2.579823 0.465166 0.096897
C -1.597563 -2.331398 1.348185
C -2.261559 -2.807084 -1.111116
C -0.445182 1.580608 -0.310580
C -3.245656 1.671158 0.333436
C -1.091271 2.819192 -0.071204
C -2.469322 2.859979 0.236784
C 1.826330 0.804108 0.143897
C 4.198907 0.063020 0.075709
C 4.357195 -1.333764 -0.505158
C 4.361913 -2.467586 0.236647
H -2.448390 -2.904083 1.755453
H -0.716250 -2.990965 1.275806
H -1.355591 -1.503958 2.035644
H -2.510911 -2.299146 -2.056123
H -1.385826 -3.458165 -1.272501
H -3.117138 -3.430808 -0.801357
H -4.309484 1.694299 0.581828
H -0.495593 3.735072 -0.124842
H -2.948515 3.827122 0.418480
H 3.110004 1.242804 -1.398489
H 5.109826 0.663106 -0.116441
H 4.055397 0.002602 1.167660
H 4.475554 -1.393733 -1.597668
H 4.489794 -3.454380 -0.222704
H 4.229468 -2.440446 1.325040


