%chk=000033362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033362

0 1
 O    3.117100      0.8834000      0.4127000    
 O   -5.296800      0.7375000     -0.3395000    
 O   -6.683000      -1.582200     -0.1642000    
 N   -5.287300      -1.554000     -3.6600001E-02
 C    5.191000     -0.1731000     -0.1492000    
 C    5.974100      -1.482600     -0.1776000    
 C    3.796000     -0.3648000      0.4283000    
 C    7.350800      -1.295300     -0.7946000    
 C    1.752200      0.8437000      0.2927000    
 C    1.048800     -0.2423000      0.8005000    
 C    1.086400       1.889800     -0.3352000    
 C   -1.015800      0.7631000      5.0099999E-02
 C  -0.3401000     -0.2827000      0.6787000    
 C  -0.3027000       1.849500     -0.4569000    
 C   -2.464100      0.7215000     -7.6499999E-02
 C   -3.223700     -0.3935000      1.1800000E-02
 C   -4.702800     -0.3179000     -0.1445000    
 H    5.729800      0.5795000      0.4401000    
 H    5.109500      0.2419000      -1.161700    
 H    5.423700      -2.234600     -0.7548000    
 H    6.084600      -1.872400      0.8409000    
 H    3.279900      -1.114400     -0.1859000    
 H    3.863700     -0.7243000       1.461700    
 H    7.273300     -0.9389000      -1.826700    
 H    7.940900     -0.5711000     -0.2241000    
 H    7.894700      -2.245100     -0.8033000    
 H    1.533600      -1.059700       1.325400    
 H    1.638500       2.737200     -0.7316000    
 H  -0.8555000      -1.135100       1.111600    
 H  -0.8117000       2.673400     -0.9513000    
 H   -2.943200       1.679400     -0.2676000    
 H   -2.797000      -1.377200      0.1739000    
 H   -4.832100      -2.425900      0.2090000    
 H   -6.764700      -1.820700      -1.103200    


%chk=000033362-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033362

0 1
O 3.098016 0.623272 -0.354398
O -5.524360 0.839956 -0.152352
O -7.151709 -1.141048 0.364670
N -5.735670 -1.365146 0.371189
C 5.386525 -0.148580 -0.217392
C 6.359929 -1.322421 0.041568
C 3.923579 -0.576086 -0.091396
C 7.838264 -0.895764 -0.083427
C 1.708691 0.499300 -0.287436
C 1.018837 -0.706482 0.015863
C 0.974301 1.685223 -0.546768
C -1.146344 0.465520 -0.197833
C -0.387333 -0.711849 0.057466
C -0.426943 1.661715 -0.501054
C -2.609190 0.512438 -0.164941
C -3.477800 -0.513495 0.102139
C -4.929103 -0.278122 0.091538
H 5.583940 0.670489 0.500328
H 5.554618 0.264151 -1.230540
H 6.150991 -2.143133 -0.674762
H 6.180464 -1.736810 1.054743
H 3.672117 -1.365127 -0.830424
H 3.705152 -0.957437 0.927841
H 8.055185 -0.508814 -1.096520
H 8.082416 -0.096366 0.640793
H 8.519144 -1.744968 0.107309
H 1.565716 -1.631877 0.217779
H 1.523967 2.602228 -0.778476
H -0.899896 -1.651257 0.293082
H -0.987100 2.582625 -0.702205
H -3.075250 1.485364 -0.379132
H -3.126786 -1.528694 0.329492
H -5.491066 -2.327236 0.594071
H -7.165204 -0.149472 0.131587


