%chk=000102568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102568

0 1
 O   -1.698100      -1.076200     -8.6199999E-02
 O    3.176200       2.132900      -1.243300    
 O    3.807600       2.712400      0.8561000    
 O  -0.8078000      -2.815100       1.121500    
 N   0.2674000      -1.958100     -0.7488000    
 N    6.138300       1.254200      0.5076000    
 C    3.142000     -0.9263000     -0.4403000    
 C    4.388400     -0.4442000      0.3089000    
 C    2.579500      -2.260500      6.6900000E-02
 C    4.948800      0.8678000     -0.2558000    
 C    1.415800      -2.818300     -0.7474000    
 C    3.944600       2.000600     -0.1309000    
 C  -0.7524000      -2.024700      0.1852000    
 C   -2.815500      -1.034800      0.8084000    
 C   -3.752000      5.3300001E-02  0.3721000    
 C   -3.597400       1.347400      0.8691000    
 C   -4.777200     -0.2291000     -0.5308000    
 C   -4.467800       2.359200      0.4635000    
 C   -5.647600      0.7828000     -0.9365000    
 C   -5.492800       2.076800     -0.4393000    
 H    3.383600      -1.025300      -1.506000    
 H    2.350100     -0.1735000     -0.3613000    
 H    4.131400     -0.3189000       1.369200    
 H    5.158400      -1.224600      0.2573000    
 H    3.384800      -3.005400      6.6000000E-02
 H    2.267200      -2.136500       1.111600    
 H    5.233000      0.7512000      -1.307600    
 H    1.125500      -3.795500     -0.3461000    
 H    1.717500      -2.961000      -1.790500    
 H   0.1986000      -1.251700      -1.475200    
 H    6.837500      0.5148000      0.4477000    
 H    6.562100       2.079100      8.3899997E-02
 H   -2.464600     -0.8448000       1.830400    
 H   -3.331200      -2.003200      0.8017000    
 H    2.521100       2.857100      -1.150900    
 H   -2.801300       1.580300       1.571300    
 H   -4.906600      -1.232800     -0.9268000    
 H   -4.347000       3.366900      0.8501000    
 H   -6.445400      0.5632000      -1.640000    
 H   -6.170200       2.864600     -0.7554000    


%chk=000102568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102568

0 1
O -1.855288 -2.330680 -0.745552
O 0.968856 1.677620 -1.093518
O 1.564760 2.688433 0.914745
O -0.843707 -2.538245 1.388436
N 0.277492 -3.101081 -0.598963
N 4.358639 2.288786 0.128742
C 2.532183 -1.096547 -0.273779
C 3.366375 0.027327 0.383901
C 2.312524 -2.292611 0.677356
C 3.278256 1.404738 -0.340972
C 1.559267 -3.479241 0.027232
C 1.879669 2.002603 -0.088126
C -0.789665 -2.650269 0.134018
C -3.001014 -1.600765 -0.114380
C -2.774246 -0.103532 -0.176813
C -2.041366 0.551178 0.847132
C -3.255265 0.654727 -1.275121
C -1.779880 1.938434 0.765599
C -3.002430 2.042380 -1.357746
C -2.258761 2.687550 -0.339132
H 3.043637 -1.435199 -1.199246
H 1.548690 -0.701934 -0.588780
H 3.055538 0.163097 1.440653
H 4.438923 -0.241988 0.395201
H 3.286410 -2.674933 1.045350
H 1.742086 -1.956826 1.563520
H 3.394390 1.241968 -1.427045
H 1.369232 -4.252121 0.795258
H 2.179413 -3.935821 -0.766017
H 0.185784 -3.079922 -1.614495
H 4.459036 3.142463 -0.432871
H 4.259919 2.521690 1.125275
H -3.102691 -1.957735 0.925114
H -3.867629 -1.913789 -0.717499
H 0.045124 1.979440 -0.845841
H -1.663215 -0.035376 1.691782
H -3.821838 0.153944 -2.069727
H -1.194852 2.431750 1.548715
H -3.381381 2.619236 -2.208597
H -2.068475 3.765351 -0.394405


