%chk=000100942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100942

0 1
 O    3.117500     -0.8789000       1.225400    
 C   -1.220600      0.2117000      3.6499999E-02
 C  -0.5606000       2.323700     -0.3440000    
 C   0.8158000       1.573800     -0.3086000    
 C   -1.492700       1.302400      -1.007300    
 C   0.3222000      0.1588000      1.6000001E-02
 C   -1.898600      -1.168500     -0.1896000    
 C   -1.586000      0.9559000       1.353400    
 C   -1.203900       2.415100       1.053300    
 C   -1.220400      -2.185300      0.7597000    
 C   0.9871000     -0.9879000      0.2473000    
 C   0.2941000      -2.293600      0.5431000    
 C    1.754200       2.176500      0.7494000    
 C    1.492100       1.657600      -1.691100    
 C   -1.747900      -1.646000      -1.654800    
 C   -3.410000      -1.144500      0.1148000    
 C    2.452700      -1.069700      0.2066000    
 C    3.104900      -1.401000      -1.110100    
 H  -0.5200000       3.291400     -0.8516000    
 H   -2.538200       1.631000      -1.025900    
 H   -1.192800       1.043200      -2.026400    
 H   -1.038800      0.5708000       2.221400    
 H   -2.653700      0.9178000       1.587300    
 H   -2.110700       3.031100       1.008300    
 H  -0.5602000       2.849600       1.821300    
 H   -1.668600      -3.180600      0.6445000    
 H   -1.403900      -1.892600       1.802400    
 H   0.4841000      -2.981800     -0.2906000    
 H   0.7385000      -2.755100       1.433700    
 H    1.446000       1.928900       1.770500    
 H    2.777300       1.801900      0.6342000    
 H    1.797000       3.267500      0.6571000    
 H    2.518500       1.280400      -1.658500    
 H   0.9632000       1.082000      -2.457400    
 H    1.546600       2.697800      -2.032100    
 H  -0.7121000      -1.612200      -2.006200    
 H   -2.097400      -2.679200      -1.766800    
 H   -2.344800      -1.029000      -2.335800    
 H   -3.613000     -0.9882000       1.179000    
 H   -3.918800     -0.3565000     -0.4503000    
 H   -3.878800      -2.098400     -0.1547000    
 H    2.380800      -1.363400      -1.928700    
 H    3.524200      -2.409100      -1.057300    
 H    3.898800     -0.6779000      -1.313900    


%chk=000100942-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100942

0 1
O 3.245182 0.029878 -0.756086
C -1.235933 0.237132 -0.019966
C -0.688491 2.461151 -0.151856
C 0.705563 1.753232 -0.366756
C -1.667938 1.487234 -0.852325
C 0.299438 0.257936 -0.204211
C -1.901059 -1.132764 -0.345299
C -1.461994 0.793036 1.450557
C -1.155192 2.326356 1.324449
C -1.104170 -2.207253 0.444441
C 1.059231 -0.896029 -0.153345
C 0.381998 -2.263203 0.037922
C 1.774609 2.250091 0.641680
C 1.209252 2.064565 -1.811335
C -1.823292 -1.423173 -1.871005
C -3.391386 -1.187590 0.078568
C 2.547605 -0.944427 -0.329132
C 3.275929 -2.250407 0.009910
H -0.677997 3.497876 -0.528147
H -2.727851 1.753130 -0.685182
H -1.495615 1.378599 -1.934540
H -0.805852 0.290851 2.182226
H -2.506911 0.621537 1.762405
H -2.070234 2.925630 1.486190
H -0.402363 2.675018 2.050143
H -1.564907 -3.203536 0.291018
H -1.184816 -1.984498 1.526798
H 0.482333 -2.837801 -0.907452
H 0.931440 -2.849756 0.798319
H 1.580185 1.891826 1.668210
H 2.776329 1.906038 0.343544
H 1.775582 3.357331 0.659128
H 2.149076 1.525339 -2.003516
H 0.473034 1.783932 -2.584837
H 1.399458 3.151524 -1.899972
H -0.805725 -1.266279 -2.270626
H -2.117837 -2.470111 -2.075709
H -2.511728 -0.766504 -2.433617
H -3.513082 -1.178969 1.176755
H -3.964842 -0.338873 -0.338559
H -3.853289 -2.120273 -0.296891
H 2.892242 -3.102579 -0.580782
H 3.150412 -2.512342 1.077760
H 4.346707 -2.113374 -0.205379


