%chk=000053990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053990

1 1
 P   -1.676000     -2.6799999E-02 -0.1215000    
 O  -0.8395000       1.235900      0.4530000    
 O   -3.210800      0.3008000      0.2838000    
 O   -1.259400      -1.243600      0.8667000    
 O   -1.446800     -0.3288000      -1.575700    
 N    3.502300     -0.6667000     -0.5589000    
 C    2.643400      0.4699000      6.0000003E-04
 C    4.405100      -1.192700      0.5532000    
 C    4.330800     -0.1291000      -1.722400    
 C    2.656600      -1.829100      -1.075200    
 C    1.300000      0.3021000     -4.3499999E-02
 C    3.299100       1.548300      0.4928000    
 C   0.5173000       1.338100      0.4663000    
 C    2.516500       2.584300       1.002500    
 C    1.125700       2.479300      0.9892000    
 C   -3.849400       1.406200     -0.3311000    
 C   -1.889800      -2.506900      0.7415000    
 C   -3.876900       1.194400      -1.837000    
 C   -5.248700       1.560300      0.2453000    
 C   -1.634800      -3.057700     -0.6532000    
 C   -1.364600      -3.438200       1.823500    
 H    3.779500      -1.495300       1.399100    
 H    4.954200      -2.056600      0.1646000    
 H    5.121200     -0.4217000      0.8501000    
 H    5.045100      0.6150000      -1.359600    
 H    4.881600     -0.9667000      -2.162500    
 H    3.653000      0.3060000      -2.463900    
 H    2.032600      -1.491200      -1.909300    
 H    3.342500      -2.596400      -1.452500    
 H    2.081300      -2.262800     -0.2503000    
 H   0.8122000     -0.5685000     -0.4440000    
 H    4.376800       1.654500      0.5134000    
 H    2.989800       3.473200       1.409600    
 H   0.5212000       3.289500       1.387500    
 H   -3.281400       2.314500     -9.9900000E-02
 H   -2.967400      -2.376500      0.8916000    
 H   -4.600700       1.865400      -2.312500    
 H   -2.908200       1.425800      -2.288300    
 H   -4.138500      0.1630000      -2.096200    
 H   -5.765900       2.423400     -0.1846000    
 H   -5.201300       1.687000       1.332300    
 H   -5.848100      0.6623000      5.9300002E-02
 H   -1.869800      -4.126500     -0.7000000    
 H   -2.275300      -2.571800      -1.394400    
 H  -0.5926000      -2.918200     -0.9586000    
 H   -1.848600      -4.418300       1.777800    
 H   -1.539800      -3.007300       2.815100    
 H  -0.2818000      -3.575300       1.727200    


%chk=000053990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053990

1 1
P -1.523108 -0.575196 0.104451
O -0.623510 0.696336 0.951083
O -3.079119 0.095692 0.062668
O -1.624195 -1.720255 1.348030
O -0.818052 -0.980637 -1.268571
N 3.883321 -0.043913 -1.128799
C 2.968082 0.568150 -0.059359
C 4.918246 -0.952508 -0.451113
C 4.597703 1.077511 -1.895226
C 3.116627 -0.890533 -2.147352
C 1.588043 0.309966 -0.103787
C 3.550501 1.377119 0.940636
C 0.765385 0.872357 0.907204
C 2.703862 1.935168 1.925887
C 1.317118 1.687631 1.921328
C -3.470777 1.141255 -0.984229
C -2.830762 -2.661824 1.457387
C -3.753205 0.445186 -2.318955
C -4.677515 1.840446 -0.361272
C -2.871295 -3.607728 0.253109
C -2.614534 -3.354701 2.800277
H 4.382758 -1.742542 0.095421
H 5.568271 -1.391220 -1.224333
H 5.518365 -0.361875 0.253796
H 5.202579 1.671163 -1.196957
H 5.244162 0.627499 -2.664846
H 3.836425 1.720549 -2.360387
H 2.382259 -0.264017 -2.672802
H 3.845714 -1.293008 -2.866770
H 2.604944 -1.716420 -1.633581
H 1.105557 -0.300205 -0.872246
H 4.623960 1.586292 0.982754
H 3.136580 2.564244 2.709279
H 0.657095 2.107263 2.684775
H -2.616176 1.841063 -1.072868
H -3.723147 -2.009776 1.482502
H -4.054455 1.198908 -3.069344
H -2.860387 -0.082787 -2.695517
H -4.580183 -0.277841 -2.210166
H -5.028780 2.643079 -1.034817
H -4.416886 2.287018 0.612099
H -5.504963 1.125609 -0.213219
H -3.731485 -4.293951 0.355587
H -2.991449 -3.059283 -0.698858
H -1.949543 -4.211858 0.197966
H -3.468420 -4.024162 3.009932
H -2.541826 -2.616710 3.615655
H -1.692087 -3.960051 2.784449


