%chk=000081944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081944

0 1
 P  -3.7799999E-02  0.9110000     -0.5549000    
 O    1.368300       1.050600      0.2456000    
 O  -5.0999999E-02 -0.6575000     -0.9827000    
 O  -0.1250000       1.829300      -1.744900    
 O  -0.9955000       1.468100       1.738000    
 N   -2.704000      0.9653000      0.2432000    
 C   -1.374500       1.145500      0.6160000    
 C    2.593500      0.9071000     -0.4521000    
 C   0.1280000      -1.639600      2.3800001E-02
 C    3.742400       1.083600      0.5306000    
 C   7.7299997E-02  -3.018100     -0.6195000    
 C   -3.127600      0.5970000      -1.099300    
 C   -3.767900       1.160900       1.217200    
 C    5.098000      0.9568000     -0.1588000    
 C   0.2479000      -4.128500      0.4132000    
 C   -3.376700       1.820100      -1.957500    
 C   -4.091100     -0.1239000       1.951500    
 C    6.242300       1.176500      0.8177000    
 C   0.1534000      -5.504200     -0.2270000    
 H    2.643100       1.665700      -1.240100    
 H    2.633400     -8.2400002E-02 -0.9183000    
 H  -0.6678000      -1.540900      0.7690000    
 H    1.091600      -1.491400      0.5204000    
 H    3.654100       2.062600       1.017900    
 H    3.652800      0.3404000       1.332800    
 H  -0.8771000      -3.134600      -1.148500    
 H   0.8567000      -3.090400      -1.388300    
 H   -2.357300     -1.5000000E-02  -1.571900    
 H   -4.029600     -2.2000000E-02  -1.039400    
 H   -3.448100       1.914100       1.946200    
 H   -4.657700       1.554800      0.7143000    
 H    5.173900       1.690500     -0.9697000    
 H    5.194300     -3.7300002E-02 -0.6104000    
 H  -0.5239000      -4.040100       1.186600    
 H    1.219300      -4.027700      0.9112000    
 H   -4.227500       2.394900      -1.576300    
 H   -2.519000       2.495900      -1.980300    
 H   -3.608400       1.522700      -2.984900    
 H   -4.431800     -0.9015000       1.260100    
 H   -3.211800     -0.5104000       2.477600    
 H   -4.881800      4.6599999E-02   2.688500    
 H    6.193600       2.176200       1.261100    
 H    6.214100      0.4397000       1.626900    
 H    7.203500       1.079600      0.3033000    
 H  -0.8211000      -5.648900     -0.7044000    
 H   0.9312000      -5.637900     -0.9857000    
 H   0.2798000      -6.284200      0.5302000    


%chk=000081944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081944

0 1
P 0.023939 0.496182 -0.755232
O 1.500802 0.596855 0.143993
O -0.184825 -1.212260 -1.101637
O 0.001473 1.339451 -2.110911
O -0.870841 0.939760 1.859831
N -2.566455 1.035658 0.249748
C -1.269827 0.869485 0.667205
C 2.741516 0.980119 -0.593956
C 0.003524 -2.188991 0.009568
C 3.813818 1.217606 0.469749
C -0.139533 -3.584014 -0.601498
C -3.050169 0.900591 -1.151824
C -3.580660 1.354119 1.295057
C 5.166336 1.634996 -0.156454
C 0.031390 -4.698508 0.458907
C -3.173060 2.252597 -1.881779
C -4.170807 0.083504 1.940584
C 6.255777 1.871851 0.911857
C -0.109298 -6.111338 -0.147656
H 2.542790 1.889297 -1.192515
H 3.023879 0.158946 -1.281932
H -0.763318 -2.014948 0.793003
H 1.003545 -2.040672 0.460410
H 3.458953 2.001870 1.164941
H 3.943010 0.294028 1.066079
H -1.133274 -3.669142 -1.081825
H 0.615682 -3.703373 -1.401599
H -2.374278 0.234368 -1.715270
H -4.030447 0.389321 -1.101731
H -3.090319 1.973858 2.064950
H -4.372621 1.956459 0.814961
H 5.027966 2.558394 -0.754568
H 5.506231 0.851428 -0.863989
H -0.721206 -4.564286 1.262434
H 1.024792 -4.600130 0.941644
H -3.806832 2.963832 -1.321220
H -2.172035 2.689475 -2.031147
H -3.629338 2.096847 -2.876224
H -4.646156 -0.569593 1.186406
H -3.379296 -0.487132 2.455139
H -4.938065 0.359224 2.686556
H 5.954136 2.671869 1.613449
H 6.434969 0.955572 1.504968
H 7.214652 2.169861 0.449837
H -1.104388 -6.246214 -0.611592
H 0.651925 -6.283540 -0.931361
H 0.014442 -6.894283 0.622643


