%chk=000147702.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147702

0 1
 P  -0.2317000     -4.2100001E-02  0.6525000    
 O  -0.4904000     -6.0699999E-02   2.148000    
 O    2.827000       1.498600      0.8334000    
 O    1.675200      -1.087400      -2.039100    
 N   -1.683200     -0.1504000     -0.2068000    
 N   0.5191000       1.375700      0.1572000    
 N   0.7205000      -1.333500      0.1588000    
 C   -2.526900      -1.322800      5.9500001E-02
 C   -2.543800       1.039900     -0.2099000    
 C   0.8614000       1.523600      -1.258500    
 C    2.050300      -1.484600      0.7518000    
 C    1.520200       2.047000      0.9920000    
 C   0.7331000      -1.790500      -1.232900    
 C   -3.599300      -1.480700      -1.005100    
 C   -3.241800       1.216200       1.128000    
 C   0.9117000       2.987800      -1.660900    
 C    2.498700      -2.936100      0.7319000    
 H   -2.948500      -1.341300       1.069300    
 H   -1.896500      -2.217900      3.8999999E-03
 H   -1.941300       1.932500     -0.4067000    
 H   -3.268900       1.028400      -1.030000    
 H    1.837800       1.088700      -1.479800    
 H   0.1102000       1.035000      -1.886700    
 H    2.799200     -0.8609000      0.2573000    
 H    2.010400      -1.165200       1.799500    
 H    1.559200       3.126300      0.8176000    
 H    1.242800       1.931100       2.045100    
 H   0.9194000      -2.865900      -1.320000    
 H  -0.2435000      -1.643600      -1.700300    
 H   -4.428100     -0.7777000     -0.8798000    
 H   -3.188600      -1.371900      -2.014800    
 H   -4.031500      -2.485600     -0.9394000    
 H   -4.015100      0.4668000       1.317400    
 H   -2.551900       1.240500       1.973700    
 H   -3.757900       2.184000       1.127600    
 H   0.9499000       3.064800      -2.753400    
 H    1.801900       3.499100      -1.282100    
 H   2.0900000E-02   3.530700      -1.326900    
 H    3.382500      -3.054200       1.369000    
 H    2.785700      -3.275300     -0.2678000    
 H    1.723400      -3.603700       1.123400    
 H    3.413100       1.979400       1.442200    
 H    2.556500      -1.445300      -1.841800    


%chk=000147702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147702

0 1
P 0.128423 0.175402 0.685117
O 0.342946 0.521440 2.240498
O 3.117470 1.590672 -0.177172
O 2.914159 -0.925403 -1.293009
N -1.496564 -0.045236 0.082080
N 0.682841 1.565021 -0.287036
N 1.005277 -1.268228 0.219980
C -2.058148 -1.388340 -0.200030
C -2.465823 1.038858 0.405645
C 0.306026 1.776548 -1.710166
C 1.644274 -2.095876 1.280408
C 1.821530 2.260970 0.241767
C 1.550072 -1.397151 -1.144339
C -2.629616 -1.499417 -1.629145
C -3.100057 0.921602 1.810779
C -0.147088 3.220121 -2.008647
C 1.057163 -3.519506 1.358045
H -2.847940 -1.629683 0.540887
H -1.249825 -2.128138 -0.066141
H -1.933259 2.004711 0.324290
H -3.248800 1.036643 -0.377108
H 1.151798 1.506785 -2.376408
H -0.527026 1.084353 -1.925685
H 2.730350 -2.139407 1.068470
H 1.511974 -1.570933 2.243759
H 1.865170 3.283272 -0.165775
H 1.761804 2.271289 1.344690
H 1.591617 -2.466510 -1.413542
H 0.854071 -0.886186 -1.841503
H -3.436594 -0.765503 -1.806972
H -1.837304 -1.328110 -2.380098
H -3.051911 -2.508484 -1.794033
H -3.674887 -0.015507 1.923481
H -2.311220 0.944585 2.582397
H -3.794724 1.764267 1.986674
H -0.464468 3.299217 -3.064920
H 0.665899 3.952273 -1.855253
H -0.997762 3.508436 -1.366253
H 1.593732 -4.111036 2.123419
H 1.155807 -4.050743 0.393329
H -0.012547 -3.491354 1.633009
H 3.696511 1.461104 0.614148
H 2.977850 0.041983 -1.003238


