%chk=000114462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114462

0 1
 P  -3.7500001E-02   1.476700      -1.000800    
 O    1.454200      0.9233000     -0.6885000    
 O  -0.9296000      0.5240000     -2.9999999E-02
 O  -0.4142000       1.290800      -2.447800    
 C    3.223200      0.1598000      0.7216000    
 C   -2.901900     -0.2213000       1.070300    
 C    3.377700      -1.243700      0.1084000    
 C   -2.959400      -1.630400      0.4531000    
 C    1.810800      0.7559000      0.6852000    
 C   -2.285800      0.8720000      0.1893000    
 C    2.456000      -2.271400      0.7654000    
 C    3.096600      -1.184000      -1.395700    
 C   -3.725400      -1.656500     -0.8697000    
 C   -1.538200      -2.158600      0.2382000    
 C    1.706600       2.107000       1.379400    
 C   -2.333100       2.256400      0.8217000    
 H    3.914600      0.8408000      0.2074000    
 H    3.555300      0.1125000       1.766900    
 H   -2.344400     -0.2794000       2.014900    
 H   -3.925200      7.7299997E-02   1.332100    
 H    4.418100      -1.559200      0.2553000    
 H   -3.469800      -2.287700       1.168000    
 H    1.117300      6.1600000E-02   1.168500    
 H   -2.802500      0.9160000     -0.7748000    
 H    1.403600      -2.082900      0.5413000    
 H    2.583900      -2.271500       1.852600    
 H    2.691000      -3.277700      0.4017000    
 H    3.592500     -0.3309000      -1.870000    
 H    3.490500      -2.089300      -1.873200    
 H    2.028500      -1.160500      -1.630700    
 H   -3.203000      -1.114100      -1.664000    
 H   -4.721400      -1.217500     -0.7508000    
 H   -3.855200      -2.689200      -1.211600    
 H  -0.9097000      -1.985300       1.117100    
 H   -1.574600      -3.243100      7.9300001E-02
 H   -1.052900      -1.740100     -0.6480000    
 H    2.207400       2.889700      0.7996000    
 H   0.6674000       2.414800       1.514300    
 H    2.158700       2.067900       2.375800    
 H   -1.678100       2.316000       1.696500    
 H   -2.019300       3.033300      0.1189000    
 H   -3.352500       2.502000       1.137200    
 H  -4.5800000E-02   2.751700     -0.4028000    


%chk=000114462-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114462

0 1
P 0.155045 1.374767 -0.987503
O 1.520725 1.456274 0.045037
O -1.166022 1.479099 0.142920
O 0.015297 0.153206 -2.007311
C 3.347608 0.062808 0.904255
C -3.175502 0.355713 0.969517
C 3.845262 -0.867558 -0.239795
C -3.058840 -1.187991 1.120742
C 1.834461 0.330520 1.004269
C -2.523067 0.966657 -0.289372
C 3.271799 -2.301306 -0.114588
C 3.596645 -0.300792 -1.659106
C -3.871320 -1.934404 0.033393
C -1.593000 -1.683667 1.148556
C 1.396534 0.794849 2.399976
C -3.311998 2.145294 -0.877260
H 3.848127 1.048645 0.829630
H 3.664314 -0.380365 1.871285
H -2.722355 0.857356 1.846499
H -4.250889 0.625444 0.971871
H 4.945578 -0.939413 -0.099494
H -3.514878 -1.434891 2.103255
H 1.250827 -0.558376 0.695741
H -2.351201 0.197280 -1.067082
H 2.183115 -2.319504 -0.312107
H 3.448652 -2.724523 0.892758
H 3.745086 -2.973617 -0.853862
H 3.959213 0.740346 -1.744088
H 4.128290 -0.911839 -2.413213
H 2.523277 -0.310828 -1.920448
H -3.452216 -1.761264 -0.976194
H -4.929061 -1.609744 0.025465
H -3.852040 -3.025589 0.211378
H -1.012390 -1.167305 1.935272
H -1.555918 -2.770627 1.350951
H -1.092287 -1.508084 0.177111
H 1.992871 1.668674 2.717815
H 0.331177 1.080042 2.394877
H 1.546986 -0.016401 3.136553
H -3.451881 2.936009 -0.118811
H -2.796564 2.586011 -1.750377
H -4.309062 1.803723 -1.211871
H 0.313999 2.680570 -1.565044


