%chk=000052838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052838

0 1
 O    1.830600      0.6823000       1.146300    
 O    1.766000      0.5664000      -1.233700    
 N    4.604600      -1.482200     -1.7000001E-02
 N   0.8771000      -1.578000      6.4000003E-02
 C    3.247100     -0.9335000     -7.0000002E-03
 C    3.084600     -6.9999998E-04   1.203800    
 C    3.016900     -0.1224000      -1.292300    
 C    2.235100      -2.089300      7.6700002E-02
 C    1.696600       1.409500     -7.9200000E-02
 C   0.3488000       2.088000     -7.5599998E-02
 C  -9.4899997E-02  -2.663500      0.1324000    
 C   -1.510400      -2.151500      0.1013000    
 C  -0.7680000       1.430700     -0.5966000    
 C   0.2133000       3.375100      0.4492000    
 C   -2.014000       2.057700     -0.5933000    
 C   -1.032900       4.002000      0.4527000    
 C   -2.151900      -1.843500       1.293000    
 C   -2.153800      -1.994300      -1.118400    
 C   -2.146500       3.343100     -6.8599999E-02
 C   -3.463300      -1.369000       1.264400    
 C   -3.465200      -1.519800      -1.146800    
 C   -4.119800      -1.207100      4.4599999E-02
 H    3.118500     -0.5594000       2.146300    
 H    3.883800      0.7508000       1.246000    
 H    3.811100      0.6189000      -1.450400    
 H    3.001800     -0.7706000      -2.176200    
 H    2.410000      -2.672500      0.9908000    
 H    2.384300      -2.767100     -0.7744000    
 H    2.485100       2.171400     -0.1493000    
 H    4.781600      -1.985300      0.8519000    
 H    5.286500     -0.7251000     -4.9400002E-02
 H   0.7342000     -0.9655000      0.8662000    
 H   5.3100001E-02  -3.255800       1.045000    
 H   4.9100000E-02  -3.356100     -0.7072000    
 H  -0.6889000      0.4444000      -1.035600    
 H    1.072800       3.898300      0.8600000    
 H   -2.880000       1.553500      -1.010200    
 H   -1.136300       5.003000      0.8611000    
 H   -1.648500      -1.963100       2.248200    
 H   -1.652200      -2.231800      -2.052200    
 H   -3.116100       3.832300     -6.8599999E-02
 H   -3.972500      -1.124000       2.191800    
 H   -3.975900      -1.391700      -2.096700    
 H   -5.140200     -0.8360000      2.2200000E-02


%chk=000052838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052838

0 1
O 1.843070 0.939254 1.087215
O 1.607978 0.702314 -1.296535
N 4.491503 -1.470989 -0.215166
N 0.782466 -1.772112 0.308070
C 3.132419 -0.914961 -0.053109
C 3.095420 0.147930 1.090158
C 2.779094 -0.193050 -1.385634
C 2.203568 -2.118984 0.255937
C 1.726380 1.656540 -0.205262
C 0.488070 2.515357 -0.163631
C -0.123589 -2.869151 0.675659
C -1.581950 -2.536344 0.369673
C -0.790980 1.919604 -0.285513
C 0.596379 3.911944 0.028145
C -1.951355 2.718932 -0.211297
C -0.565828 4.712936 0.101189
C -2.619464 -2.968069 1.232135
C -1.922211 -1.815649 -0.803975
C -1.842466 4.116812 -0.016957
C -3.973424 -2.697794 0.925148
C -3.273359 -1.542149 -1.111644
C -4.305273 -1.983975 -0.249324
H 3.149385 -0.330107 2.083754
H 3.961914 0.839378 0.972303
H 3.662908 0.404433 -1.709198
H 2.533594 -0.924824 -2.169196
H 2.579255 -2.578657 1.214986
H 2.362612 -2.878189 -0.536775
H 2.658616 2.260572 -0.333515
H 4.747842 -2.189956 0.467505
H 5.233682 -0.781820 -0.368440
H 0.596015 -0.883377 0.790034
H -0.037681 -3.182445 1.747314
H 0.177428 -3.756650 0.077905
H -0.867974 0.840565 -0.447975
H 1.586620 4.374495 0.124428
H -2.938148 2.251306 -0.302629
H -0.476260 5.794914 0.249076
H -2.368064 -3.515454 2.149743
H -1.110983 -1.473573 -1.456741
H -2.744930 4.736091 0.040384
H -4.765251 -3.037551 1.602785
H -3.521879 -0.987088 -2.023984
H -5.353848 -1.771859 -0.487846


