%chk=000164953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164953

0 1
 P   -2.337700       2.804800       1.190000    
 O    2.245800       2.161000     -0.7701000    
 O   0.7322000       2.366100      -3.423300    
 O   -1.238500       2.866200      3.1999999E-03
 O    4.301900      -1.129000      -2.171000    
 O   -2.252900       1.303000       1.778500    
 O   -1.679800       3.690800       2.375700    
 O    4.570600      -2.637600       2.164900    
 O   -3.717400       3.254700      0.8012000    
 O   -4.212400      -3.179000      -2.145000    
 O   -3.652400      -4.403900     -0.4079000    
 N    3.033400     -3.0999999E-02 -0.5475000    
 N    4.426000      -1.871500     -4.4999998E-03
 N   -3.768300      -3.294300     -0.9788000    
 C   0.3752000       1.776200      -2.175100    
 C   0.9071000       2.626000      -1.029500    
 C    1.111400      0.4680000      -2.001100    
 C    2.456400      0.9177000      -1.454300    
 C   9.9200003E-02   2.466000      0.2518000    
 C    2.678200      3.4200002E-02  0.7937000    
 C    3.942100      -1.012600     -0.9976000    
 C    3.142900     -0.7893000       1.741400    
 C    4.106100      -1.850600       1.344500    
 C    2.747100     -0.7015000       3.180400    
 C   -2.625300      0.1730000       1.101000    
 C   -3.119700      0.2782000     -0.1948000    
 C   -2.505600      -1.069900       1.713900    
 C   -3.499000     -0.8727000     -0.8856000    
 C   -2.884900      -2.220800       1.022900    
 C   -3.381600      -2.122100     -0.2769000    
 H  -0.7118000       1.657600      -2.173200    
 H   0.9561000       3.683800      -1.311600    
 H    1.226000     -0.1080000      -2.924700    
 H   0.5799000     -0.1605000      -1.276100    
 H    3.152100       1.113800      -2.278900    
 H   8.4700003E-02   1.428200      0.5899000    
 H   0.5324000       3.073500       1.053200    
 H   0.4322000       1.764400      -4.125900    
 H    1.990100      0.8083000       1.092900    
 H    5.082300      -2.586600     -0.3054000    
 H    3.625300     -0.5184000       3.808100    
 H    2.034300      0.1102000       3.360700    
 H    2.275800      -1.635100       3.504700    
 H   -1.751500       4.668100       2.331400    
 H   -3.222400       1.225800     -0.7106000    
 H   -2.118300      -1.150600       2.725600    
 H   -3.879900     -0.7580000      -1.897300    
 H   -2.778900      -3.176700       1.529300    


%chk=000164953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164953

0 1
P -2.672090 2.730082 0.414398
O 2.434021 2.185922 -0.248467
O 1.634486 2.797367 -3.198922
O -1.249819 2.547396 -0.501634
O 4.896436 -0.555968 -2.197491
O -2.895775 1.187983 1.231857
O -2.074906 3.606874 1.753666
O 5.836505 -2.634287 1.893746
O -3.906455 3.285562 -0.397518
O -6.644746 -3.278223 -1.421740
O -5.523258 -4.504239 0.143250
N 3.793460 0.207935 -0.269155
N 5.344899 -1.558456 -0.120197
N -5.781734 -3.395380 -0.467801
C 1.067353 1.848904 -2.229009
C 1.131857 2.571488 -0.868689
C 1.989609 0.627547 -2.024629
C 3.101981 1.212644 -1.126101
C 0.044644 2.148132 0.127681
C 3.583421 0.115166 1.109251
C 4.701472 -0.634157 -0.950145
C 4.223604 -0.807205 1.905861
C 5.180639 -1.737577 1.288468
C 4.007521 -0.903785 3.395908
C -3.643870 0.092777 0.733838
C -4.607811 0.199029 -0.299353
C -3.383202 -1.138604 1.382062
C -5.307483 -0.957173 -0.693766
C -4.088512 -2.288883 0.990988
C -5.040982 -2.184080 -0.048289
H 0.029326 1.576338 -2.496504
H 1.125897 3.662679 -1.020581
H 2.399441 0.223166 -2.962748
H 1.457768 -0.182929 -1.492329
H 3.870877 1.721672 -1.733252
H 0.038444 1.054728 0.289423
H 0.175969 2.673275 1.088858
H 1.642917 2.384838 -4.098998
H 2.887464 0.854349 1.509090
H 6.010509 -2.184728 -0.584855
H 4.959706 -0.760951 3.938190
H 3.283477 -0.149339 3.748343
H 3.640191 -1.908182 3.674849
H -2.738577 3.875055 2.437431
H -4.814791 1.162602 -0.774865
H -2.637945 -1.172089 2.181245
H -6.058653 -0.920576 -1.486958
H -3.914786 -3.256796 1.467792


