%chk=000127050.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127050

0 1
 P    5.606000      -1.743800     -0.4831000    
 O    2.029400     -0.2628000       1.425600    
 O   -1.313700     -0.7535000      0.1995000    
 O  -9.2200004E-02  -2.374500       2.006600    
 O    4.348000      -1.552600      0.5182000    
 O   -1.465200      -2.621800      -1.137200    
 O    5.538900      -3.316900     -0.8516000    
 O    5.123900      -1.021300      -1.847200    
 O    6.924600      -1.275500      5.9500001E-02
 N   0.8839000       1.539200      0.3908000    
 N    1.789400       3.153300     -0.8554000    
 N   -1.153400       2.656800       1.099700    
 N   -1.292300       4.914900      0.1844000    
 N   0.4068000       5.835700      -1.227200    
 N   -3.815100      -3.932000     -0.6262000    
 C   9.7199999E-02 -0.8263000      0.1774000    
 C   0.6365000      -2.093200      0.8117000    
 C   0.7342000      0.2441000       1.050400    
 C    2.058800      -1.689100       1.186700    
 C    3.066600      -1.969900      8.0799997E-02
 C   1.2900000E-02   2.591600      0.4401000    
 C    1.935200       1.926700     -0.3993000    
 C   0.5922000       3.580700     -0.3386000    
 C   -1.982200      -1.716100     -0.5017000    
 C  -0.1060000       4.778400     -0.4558000    
 C   -3.451500      -1.527900     -0.4001000    
 C   -1.735600       3.861000      0.9116000    
 C   -4.300500      -2.615200     -0.4636000    
 C   -3.924400     -0.2389000     -0.2419000    
 C   -5.676200      -2.406600     -0.3652000    
 C   -5.300200     -3.0400001E-02 -0.1437000    
 C   -6.176100      -1.114100     -0.2053000    
 H   0.4543000     -0.7318000     -0.8572000    
 H   0.5912000      -2.979800      0.1743000    
 H   0.1632000      0.4197000       1.970400    
 H    2.391800      -2.155900       2.120600    
 H    2.810800      -1.414800     -0.8270000    
 H    3.087400      -3.039900     -0.1476000    
 H   0.3113000      -3.159600       2.414700    
 H    2.774100       1.278500     -0.6134000    
 H   -2.688600       4.004700       1.409500    
 H   -3.268500      0.6258000     -0.2064000    
 H    1.291300       5.736100      -1.706600    
 H  -0.1197000       6.695800      -1.297700    
 H    6.261900      -3.710600      -1.384900    
 H    5.756200     -0.9461000      -2.593400    
 H   -6.370200      -3.242000     -0.4120000    
 H   -5.689800      0.9762000     -2.2800000E-02
 H   -7.247200     -0.9514000     -0.1297000    
 H   -4.466500      -4.704900     -0.6652000    
 H   -2.823000      -4.115100     -0.6827000    


%chk=000127050-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127050

0 1
P 5.536799 -1.083948 -0.193821
O 2.344415 -0.384685 1.067688
O -1.178129 -1.170612 0.583131
O 0.282031 -2.273403 2.650771
O 4.748962 -2.175936 0.928309
O -1.475611 -2.448138 -1.350611
O 5.499547 -1.936877 -1.696858
O 4.339436 0.062721 -0.517854
O 6.975146 -0.665842 0.303363
N 0.909855 1.125709 -0.125271
N 1.179286 2.369092 -2.035748
N -0.337438 2.775378 1.256585
N -0.716923 4.887183 0.052291
N 0.036299 5.260778 -2.157007
N -4.012273 -2.931734 -2.140314
C 0.268445 -1.273317 0.380830
C 0.900577 -2.324332 1.327754
C 0.937125 0.042383 0.827899
C 2.358273 -1.834825 1.492508
C 3.369481 -2.623319 0.650931
C 0.298953 2.368830 0.124774
C 1.422362 1.191029 -1.444290
C 0.472777 3.112893 -1.067926
C -2.002956 -1.769173 -0.419037
C -0.067937 4.432922 -1.074156
C -3.423300 -1.513266 -0.208578
C -0.813916 4.052922 1.131254
C -4.394239 -2.124562 -1.091046
C -3.869633 -0.665911 0.852279
C -5.781928 -1.870021 -0.846951
C -5.231725 -0.427032 1.066114
C -6.187226 -1.042663 0.207028
H 0.487831 -1.512297 -0.674864
H 0.831939 -3.342885 0.898404
H 0.490831 0.421509 1.765359
H 2.639406 -1.859106 2.558227
H 3.142250 -2.567756 -0.432263
H 3.341141 -3.680650 0.968675
H -0.702750 -2.214027 2.533547
H 1.994835 0.381014 -1.890242
H -1.336791 4.460342 2.001329
H -3.117268 -0.194203 1.490221
H 0.527165 4.946320 -2.991519
H -0.358798 6.197376 -2.102377
H 6.385954 -2.284964 -1.971455
H 3.577532 0.088511 0.172663
H -6.528086 -2.330944 -1.504891
H -5.559255 0.227927 1.878456
H -7.256514 -0.863509 0.366882
H -4.713561 -3.350583 -2.746070
H -3.012493 -3.079416 -2.311323


