%chk=000013945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013945

0 1
 P   -3.585800      -1.524200      0.1221000    
 O  -0.3433000       1.170700       1.025200    
 O  -0.6873000       4.026700     -2.2399999E-02
 O   -2.728300     -0.2409000      0.6089000    
 O    3.692800       1.407900      0.3876000    
 O   -2.617400      -2.248400     -0.9515000    
 O   -4.734800     -0.8601000     -0.8019000    
 O   -4.091400      -2.405200       1.226900    
 N    1.667300      0.3218000      0.1816000    
 N    3.778700     -0.8327000      3.5000000E-02
 N    3.859600      -3.128300     -0.3281000    
 C  -0.8475000       2.761000     -0.6594000    
 C   -1.450700       1.761800      0.3180000    
 C   0.5091000       2.167800     -0.9617000    
 C   0.8803000       1.507400      0.3561000    
 C   -2.214800      0.6416000     -0.3757000    
 C    1.015200     -0.8832000     -2.1700000E-02
 C    3.083200      0.3515000      0.2105000    
 C    1.665600      -2.032400     -0.1937000    
 C    3.149600      -1.962700     -0.1557000    
 H   -1.461500       2.916400      -1.551400    
 H   -2.087200       2.244900       1.067600    
 H   0.4169000       1.425200      -1.763400    
 H    1.260900       2.901900      -1.268400    
 H    1.415500       2.218200      0.9967000    
 H   -1.590600      8.9599997E-02  -1.082000    
 H   -3.052900       1.071200     -0.9347000    
 H  -0.2473000       4.617900     -0.6569000    
 H  -6.1900001E-02 -0.9000000     -3.2200001E-02
 H    1.164300      -2.978400     -0.3488000    
 H    3.400500      -4.020500     -0.4788000    
 H    4.873800      -3.127500     -0.3102000    
 H   -2.897400      -3.103500      -1.342200    
 H   -5.451800      -1.431100      -1.151200    


%chk=000013945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013945

0 1
P -3.528584 -1.394079 0.365964
O -0.726596 0.687008 0.581854
O -0.625493 3.921418 0.265019
O -3.721293 0.346894 0.375895
O 3.211922 1.051582 1.195660
O -1.860957 -1.616112 0.478135
O -3.747548 -1.819358 -1.300154
O -4.516216 -2.105813 1.369394
N 1.500475 -0.043587 0.004154
N 3.640153 -1.127635 0.423880
N 4.047204 -3.257000 -0.396246
C -0.876120 2.787414 -0.634119
C -1.691121 1.771185 0.213714
C 0.417963 2.030034 -1.005147
C 0.657075 1.128165 0.220176
C -2.896757 1.179852 -0.525495
C 1.078202 -1.126274 -0.745396
C 2.859917 -0.002046 0.595811
C 1.895258 -2.219977 -0.930789
C 3.196428 -2.183466 -0.292690
H -1.430973 3.119105 -1.535118
H -2.016839 2.263176 1.146103
H 0.261307 1.410748 -1.908248
H 1.271921 2.704277 -1.183232
H 1.102118 1.689016 1.058948
H -2.591559 0.606708 -1.423722
H -3.563241 2.004948 -0.832816
H -0.053242 4.590442 -0.189188
H 0.061683 -1.094689 -1.147024
H 1.543504 -3.083597 -1.497295
H 3.787865 -4.103641 -0.895155
H 4.946575 -3.198368 0.079812
H -1.319294 -0.765946 0.697064
H -4.632336 -2.225984 -1.485548


