%chk=000045768.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045768

1 1
 O   0.2096000      -1.480100      1.9600000E-02
 O   -5.086900      4.5499999E-02  1.1000000E-03
 N    3.500700      0.2791000      7.9999998E-04
 C    2.471700     -0.7786000     -0.3714000    
 C    4.823800     -3.8100000E-02 -0.6810000    
 C    3.696700      0.2871000       1.510000    
 C    3.010500       1.646200     -0.4543000    
 C    1.164800     -0.4755000      0.3345000    
 C    4.622700     -4.4500001E-02  -2.180600    
 C    4.183900      -1.074100       1.956300    
 C    4.037200       2.693200     -8.1600003E-02
 C   -1.107300      -1.101000      1.5100000E-02
 C   -1.532100     -7.8699999E-02  0.8561000    
 C   -2.005300      -1.742200     -0.8306000    
 C   -2.872500      0.3074000      0.8515000    
 C   -3.345600      -1.356200     -0.8354000    
 C   -3.779300     -0.3313000      5.7000001E-03
 C   -5.371200       1.408600      0.3124000    
 C   -6.621400       1.833200     -0.4282000    
 H    2.853200      -1.785000     -0.1759000    
 H    2.271800     -0.7202000      -1.446200    
 H    5.606100      0.6481000     -0.3478000    
 H    5.127200      -1.051600     -0.4036000    
 H    2.792700      0.6250000       2.021700    
 H    4.495500      0.9935000       1.753700    
 H    2.104700       1.901600      0.1018000    
 H    2.761400       1.635000      -1.518000    
 H   0.7789000      0.4894000     -1.2000001E-03
 H    1.260900     -0.4869000       1.421600    
 H    5.590500     -0.2737000      -2.645500    
 H    3.948200     -0.8236000      -2.542200    
 H    4.329800      0.9202000      -2.599500    
 H    4.300600      -1.045000       3.047500    
 H    3.481700      -1.888500       1.768100    
 H    5.172000      -1.344600       1.577900    
 H    5.003000       2.573900     -0.5764000    
 H    4.185900       2.817700      0.9932000    
 H    3.661000       3.665400     -0.4260000    
 H  -0.8682000      0.4196000       1.556000    
 H   -1.671600      -2.540500      -1.487400    
 H   -3.176100       1.085000       1.546400    
 H   -4.047400      -1.857100      -1.496700    
 H   -4.561600       2.078800     -2.7999999E-03
 H   -5.527600       1.505200       1.392400    
 H   -7.467900       1.195500     -0.1528000    
 H   -6.483500       1.728700      -1.509600    
 H   -6.875800       2.872800     -0.2035000    


%chk=000045768-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045768

1 1
O 0.206620 -0.663792 -0.767451
O -5.368334 -0.041932 -0.215706
N 3.757820 0.312586 -0.003254
C 2.497149 -0.333748 -0.604543
C 5.002172 -0.470887 -0.511935
C 3.739890 0.249417 1.551608
C 3.818038 1.801919 -0.446449
C 1.150106 0.231459 -0.118575
C 5.247854 -0.417966 -2.024261
C 3.474488 -1.135190 2.155112
C 5.089804 2.559644 -0.048301
C -1.185752 -0.409636 -0.559091
C -1.692007 0.627544 0.248513
C -2.060447 -1.295645 -1.230985
C -3.093345 0.785161 0.389994
C -3.446780 -1.139662 -1.090534
C -3.975245 -0.098089 -0.278992
C -5.988530 1.018292 0.612215
C -7.499017 0.842992 0.495278
H 2.531179 -1.410493 -0.374806
H 2.556318 -0.216236 -1.697569
H 5.864197 -0.061026 0.039418
H 4.853525 -1.512788 -0.185058
H 2.973516 0.971449 1.880630
H 4.722073 0.628857 1.876977
H 2.930688 2.283556 -0.002790
H 3.688431 1.798724 -1.541249
H 0.984827 1.277937 -0.448206
H 1.040395 0.182384 0.985080
H 6.158502 -1.007474 -2.231928
H 4.435591 -0.873957 -2.613460
H 5.435517 0.601937 -2.399320
H 3.507473 -1.029500 3.253996
H 2.479506 -1.535193 1.900879
H 4.240032 -1.881403 1.886159
H 6.002508 2.144719 -0.507006
H 5.233938 2.624262 1.042920
H 4.989010 3.595700 -0.417286
H -1.032630 1.323976 0.777456
H -1.644424 -2.093338 -1.853293
H -3.474116 1.593890 1.019513
H -4.144427 -1.810855 -1.599308
H -5.665698 2.010418 0.234649
H -5.647723 0.905823 1.662137
H -7.806587 -0.151544 0.859627
H -7.824340 0.945381 -0.553572
H -8.016361 1.611027 1.097969


