%chk=000002832.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002832

0 1
 O   0.8890000      -2.098500      0.6392000    
 O    3.622500      -1.966900      0.5542000    
 O    4.876000      0.2145000     -0.5921000    
 O   -5.015200      -1.509900     -0.9779000    
 O   -4.490400     -0.5980000       1.562000    
 N   0.1171000       2.208700       1.794100    
 C  -0.8429000       2.335500      0.6866000    
 C  -0.2148000       3.095500     -0.5093000    
 C   0.5475000       2.296800      -1.574700    
 C   -1.537600       1.007800      0.3451000    
 C    1.362600       1.156400      -1.027500    
 C   0.7177000      4.0199999E-02 -0.4552000    
 C  -0.7714000     -3.8000001E-03 -0.3987000    
 C    1.487400      -1.002800      8.3600000E-02
 C    2.762400       1.200900      -1.063900    
 C   -2.787000      0.8324000      0.8152000    
 C   -1.312500     -0.9740000      -1.160800    
 C    2.880100     -0.9450000      3.9700001E-02
 C    3.516100      0.1534000     -0.5345000    
 C  -0.5552000       1.743200       2.992200    
 C   -3.697900     -0.3261000      0.6621000    
 C   -2.698900      -1.263500      -1.419300    
 C   -3.757800      -1.043800     -0.6316000    
 C   0.5983000      -2.037300       2.032600    
 C    4.521500      -1.644000       1.612200    
 C    5.500400     -0.3349000      -1.750500    
 C   -5.716800     -0.5368000      -1.722800    
 H   -1.609700       3.039700       1.045900    
 H   0.4538000       3.877200     -0.1216000    
 H   -1.013100       3.645700      -1.027200    
 H  -0.1584000       1.900000      -2.316300    
 H    1.187200       2.986600      -2.140100    
 H   0.5390000       3.118200       1.981100    
 H    3.269100       2.057400      -1.502700    
 H   -3.228400       1.613200       1.434000    
 H  -0.6549000      -1.639100      -1.723600    
 H   -1.403900       2.377900       3.269000    
 H  -0.8816000      0.7024000       2.920100    
 H   0.1536000       1.778200       3.826900    
 H   -2.864300      -1.813200      -2.345400    
 H  -0.3716000      -1.557600       2.187700    
 H    1.374000      -1.499900       2.588200    
 H   0.5424000      -3.060300       2.414900    
 H    5.528600      -1.489900       1.214900    
 H    4.196300     -0.7649000       2.179700    
 H    4.555400      -2.496800       2.296700    
 H    5.264500      -1.399300      -1.848500    
 H    5.183500      0.2045000      -2.648700    
 H    6.582700     -0.2257000      -1.640300    
 H   -6.704400     -0.9399000      -1.966600    
 H   -5.863100      0.3818000      -1.143500    
 H   -5.205600     -0.3090000      -2.664800    


%chk=000002832-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002832

0 1
O 0.818047 -1.927586 0.716130
O 3.692667 -1.862971 0.571312
O 4.951831 0.411413 -0.680445
O -4.992705 -1.528092 -1.399847
O -5.288295 0.775300 0.266758
N 0.087237 2.039245 1.797034
C -0.850555 2.456494 0.739648
C -0.135343 3.304235 -0.357913
C 0.508590 2.482664 -1.506968
C -1.589345 1.232157 0.136234
C 1.349755 1.331093 -0.991314
C 0.701917 0.211882 -0.393672
C -0.797875 0.127354 -0.373474
C 1.502283 -0.839565 0.148604
C 2.756987 1.378882 -1.073675
C -2.982715 1.314673 0.193110
C -1.347047 -1.044938 -0.921973
C 2.923680 -0.778952 0.080097
C 3.540781 0.328144 -0.562035
C -0.518763 1.625886 3.068968
C -4.108674 0.446310 -0.146526
C -2.687543 -1.432850 -1.184452
C -3.908776 -0.796262 -0.933076
C 1.273054 -2.468053 2.010474
C 4.628905 -1.514319 1.667913
C 5.540016 -0.592299 -1.599244
C -6.319389 -0.915993 -1.658091
H -1.642136 3.114281 1.176755
H 0.635314 3.930157 0.137230
H -0.874517 3.999191 -0.799232
H -0.300955 2.095963 -2.155527
H 1.123398 3.159029 -2.128592
H 0.898066 2.657131 1.891519
H 3.264940 2.221976 -1.552871
H -3.374925 2.221686 0.678763
H -0.609055 -1.786388 -1.248205
H -1.182150 2.400710 3.526885
H -1.131218 0.717389 2.920073
H 0.274897 1.378309 3.796144
H -2.804300 -2.395426 -1.699634
H 1.500257 -1.647367 2.718301
H 2.157796 -3.110636 1.877475
H 0.418635 -3.053777 2.384765
H 5.316200 -0.710357 1.352344
H 4.063604 -1.195899 2.565273
H 5.185928 -2.439387 1.882781
H 5.291858 -1.618163 -1.271831
H 5.169878 -0.426365 -2.628808
H 6.627586 -0.426233 -1.560605
H -6.891987 -1.731586 -2.126164
H -6.775363 -0.564025 -0.723172
H -6.219179 -0.066863 -2.357444


