%chk=000052357.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052357

0 1
 O    1.657400      -1.320800      0.1564000    
 O   -3.583900      -2.198000     -0.5235000    
 O   -4.255200       2.377700      0.2677000    
 N  -0.6765000      -1.616200     -0.1274000    
 N   0.1041000      0.4211000      0.3310000    
 N   -2.076900       1.561600      0.3297000    
 N   -3.945100      9.0499997E-02 -0.1303000    
 C    4.406400       1.141100     -0.6456000    
 C    2.700500     -0.3920000      0.4319000    
 C    3.201800      0.2206000     -0.8760000    
 C    5.524300      0.4002000      0.1011000    
 C    3.819100      -1.121800       1.170900    
 C    5.022000     -0.2154000       1.405400    
 C    4.921100       1.698700      -1.971200    
 C   0.3819000     -0.8231000      0.1252000    
 C   -1.764200     -0.7922000     -7.9700001E-02
 C   -1.258700      0.4476000      0.2021000    
 C   -3.149300      -1.077700     -0.2702000    
 C  -0.6721000      -3.035600     -0.3940000    
 C   -3.477800       1.421900      0.1657000    
 C   -1.491500       2.862200      0.6309000    
 C   -5.387600     -5.0500002E-02 -0.3000000    
 H    4.080500       1.988400     -2.7600000E-02
 H    2.349600      0.4061000       1.100900    
 H    2.391300      0.7794000      -1.360300    
 H    3.464600     -0.5826000      -1.577800    
 H    6.347800       1.089900      0.3211000    
 H    5.936100     -0.3931000     -0.5359000    
 H    4.125300      -2.007100      0.5982000    
 H    3.443900      -1.503800       2.128200    
 H    5.828600     -0.7880000       1.876900    
 H    4.747100      0.5841000       2.104400    
 H    5.761000       2.381400      -1.805100    
 H    5.262100      0.8974000      -2.635400    
 H    4.133800       2.256100      -2.489500    
 H   0.3500000      -3.420000     -0.3651000    
 H   -1.272000      -3.532300      0.3727000    
 H   -1.097900      -3.201400      -1.386800    
 H  -0.9626000       2.801200       1.587100    
 H   -2.255700       3.640400      0.6997000    
 H  -0.7874000       3.127800     -0.1637000    
 H   -5.683300      -1.078400     -0.5219000    
 H   -5.710700      0.6027000      -1.116800    
 H   -5.883300      0.2775000      0.6193000    


%chk=000052357-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052357

0 1
O 1.651501 -1.362232 0.304239
O -3.713353 -2.212544 -0.537792
O -4.333624 2.421925 0.110795
N -0.669963 -1.638216 -0.055992
N 0.070242 0.496751 0.370472
N -2.140277 1.598656 0.262179
N -3.992872 0.123412 -0.206061
C 4.453520 1.163740 -0.581635
C 2.793845 -0.399323 0.546091
C 3.199747 0.267671 -0.777387
C 5.608227 0.335708 0.038542
C 3.923227 -1.236178 1.152963
C 5.181134 -0.353875 1.356132
C 4.871128 1.824595 -1.912337
C 0.408581 -0.814519 0.210014
C -1.804028 -0.792995 -0.067516
C -1.307066 0.493186 0.196260
C -3.191781 -1.076898 -0.291724
C -0.638007 -3.093441 -0.271401
C -3.534500 1.442163 0.059500
C -1.590364 2.937451 0.544390
C -5.452736 -0.010111 -0.414290
H 4.188780 1.968763 0.138821
H 2.426079 0.363064 1.259576
H 2.357753 0.869873 -1.164906
H 3.428062 -0.522946 -1.520954
H 6.482768 0.990721 0.218989
H 5.929956 -0.434576 -0.693956
H 4.157056 -2.072394 0.465130
H 3.592648 -1.677320 2.111092
H 6.006323 -0.975594 1.751149
H 4.970021 0.419382 2.123230
H 5.749221 2.482182 -1.772556
H 5.140079 1.057705 -2.664174
H 4.051782 2.436716 -2.332657
H 0.006099 -3.337452 -1.133030
H -0.242717 -3.604126 0.623195
H -1.668386 -3.427499 -0.466845
H -1.092547 2.943910 1.528803
H -2.429809 3.647787 0.539211
H -0.851543 3.214077 -0.226538
H -5.659803 -1.075168 -0.594183
H -5.769869 0.597009 -1.278148
H -5.995936 0.346561 0.476009


