%chk=000089296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089296

0 1
 O   -3.811500      0.6880000      0.2703000    
 O    2.055900     -0.2067000     -6.4900003E-02
 O    3.407700       1.651000     -0.2070000    
 N   -1.539400      0.5116000     -0.3375000    
 C   -2.823000     -0.2045000     -0.2941000    
 C   -1.672300       1.529200      0.6978000    
 C   -2.860400      -1.478900      0.5595000    
 C   -3.124500       1.918300      0.5321000    
 C  -0.3314000     -0.2816000     -0.1925000    
 C   -3.261900     -0.5222000      -1.726000    
 C   -4.249000      -2.084600      0.5816000    
 C   0.9017000      0.6070000     -0.2270000    
 C    3.255600      0.4449000     -7.3299997E-02
 C    4.365800     -0.5320000      0.1041000    
 C    4.070500      -1.992400      0.2597000    
 C    5.616100     -4.7100000E-02  0.1172000    
 H   -1.026800       2.400400      0.5537000    
 H   -1.507800       1.112400       1.699300    
 H   -2.584100      -1.242900       1.595000    
 H   -2.155500      -2.232700      0.1903000    
 H   -3.541600       2.385200       1.428600    
 H   -3.276800       2.586100     -0.3236000    
 H  -0.2601000      -1.017600      -1.002900    
 H  -0.3153000     -0.8521000      0.7447000    
 H   -3.173800      0.3688000      -2.361300    
 H   -2.653300      -1.314300      -2.174900    
 H   -4.319000     -0.8016000      -1.784700    
 H   -5.016000      -1.373700      0.9031000    
 H   -4.536200      -2.497500     -0.3897000    
 H   -4.268900      -2.919200       1.291600    
 H   0.8970000       1.336900      0.5893000    
 H   0.9617000       1.138100      -1.185000    
 H    3.446300      -2.166500       1.142300    
 H    3.546000      -2.374600     -0.6223000    
 H    4.984300      -2.584000      0.3811000    
 H    6.467900     -0.7083000      0.2428000    
 H    5.835900       1.009300      4.9999999E-03


%chk=000089296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089296

0 1
O -3.897139 0.766790 -0.012549
O 2.092872 -0.240024 -0.078375
O 3.435254 1.631025 -0.433961
N -1.556710 0.538336 -0.061052
C -2.826978 -0.222129 -0.337415
C -1.869318 1.532571 0.992220
C -3.029364 -1.444544 0.607467
C -3.271999 1.983423 0.556214
C -0.317356 -0.240260 0.103684
C -2.929267 -0.579257 -1.826537
C -4.421138 -2.101128 0.494292
C 0.896748 0.632240 -0.238561
C 3.334058 0.399915 -0.205783
C 4.465051 -0.571869 -0.032834
C 4.146409 -2.027516 0.238108
C 5.729440 -0.075901 -0.132256
H -1.147072 2.367359 0.981061
H -1.880944 1.091928 2.019259
H -2.876673 -1.095531 1.648084
H -2.243315 -2.197696 0.397129
H -3.905152 2.330744 1.390304
H -3.212543 2.766573 -0.223635
H -0.335999 -1.095404 -0.595263
H -0.191201 -0.654834 1.132433
H -2.769206 0.329123 -2.428927
H -2.170520 -1.333032 -2.109499
H -3.926254 -0.988823 -2.058774
H -5.210344 -1.339692 0.617242
H -4.565722 -2.593051 -0.484563
H -4.553674 -2.871316 1.276230
H 1.002198 1.503599 0.432254
H 0.845503 0.997498 -1.278960
H 3.545354 -2.136801 1.158590
H 3.544858 -2.460307 -0.581267
H 5.072760 -2.616508 0.346969
H 6.606472 -0.721900 -0.017698
H 5.894710 0.988599 -0.331229


