%chk=000041191.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041191

0 1
 P   0.8392000      3.2099999E-02  0.2269000    
 O    1.409900     -0.6475000       1.449500    
 O   -1.532300     -0.2881000       1.502700    
 O   -2.896000      0.9903000     -0.2971000    
 O   -1.064400       1.421200      -1.605700    
 O   -1.818700      -2.223800      0.2653000    
 N    1.489700       1.533000     -6.9300003E-02
 N    1.060900     -0.8094000      -1.189700    
 N  -0.8576000      0.2423000      0.3774000    
 C    2.738800       1.903300      0.5785000    
 C    1.634600      -2.145400      -1.136700    
 C    1.432200       2.494800       1.021000    
 C    2.434300     -0.9788000      -1.638700    
 C    3.659900       2.762100     -0.2130000    
 C    3.413600      0.9378000       1.486900    
 C    1.122100      -3.120500      -2.136200    
 C    2.007700      -2.737100      0.1762000    
 C   -1.562600      0.9272000     -0.5971000    
 C   -1.967200      -1.565800       1.286400    
 C   -3.720200       1.681800      -1.241900    
 C   -2.669900      -2.065400       2.512000    
 C   -5.154100       1.656000     -0.7571000    
 H    1.190600       3.509600      0.7332000    
 H   0.9833000       2.166700       1.949200    
 H    2.589200     -0.8716000      -2.705000    
 H    3.238100     -0.5917000      -1.032800    
 H    4.346900       2.147000     -0.8047000    
 H    3.126900       3.421000     -0.9085000    
 H    4.258000       3.398800      0.4479000    
 H    2.874700      0.7647000       2.423800    
 H    3.685200     -6.9999998E-04   1.000500    
 H    4.368800       1.368400       1.817800    
 H    1.894300      -3.854700      -2.390600    
 H   0.2572000      -3.662200      -1.737600    
 H   0.8068000      -2.639700      -3.069600    
 H    2.826300      -2.220300      0.6853000    
 H    1.139500      -2.881400      0.8274000    
 H    2.407000      -3.747100      9.8000001E-03
 H   -3.378900       2.718900      -1.333400    
 H   -3.650300       1.187500      -2.217200    
 H   -3.022100      -3.086100       2.337100    
 H   -1.977700      -2.075800       3.357600    
 H   -3.533800      -1.431700       2.728100    
 H   -5.236800       2.130700      0.2261000    
 H   -5.503300      0.6245000     -0.6422000    
 H   -5.813300       2.176400      -1.457400    


%chk=000041191-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041191

0 1
P 1.063216 -0.078078 0.671233
O 1.355643 -0.810292 2.070162
O -1.436338 0.046779 1.723616
O -2.819679 0.390642 -0.461796
O -0.929152 0.245655 -1.855097
O -1.802124 -2.286366 1.551679
N 1.455799 1.644032 0.546653
N 1.824312 -0.720797 -0.788664
N -0.743781 -0.026036 0.449944
C 2.878339 2.170574 0.738310
C 1.449466 -2.021977 -1.511120
C 1.818171 2.404714 1.808743
C 2.697384 -1.964889 -0.645350
C 3.220551 3.289611 -0.235151
C 4.011465 1.193551 1.043880
C 1.562387 -1.869867 -3.021182
C 0.282646 -2.872862 -1.023891
C -1.463440 0.217609 -0.717847
C -1.876348 -1.244541 2.212001
C -3.655951 0.621861 -1.681222
C -2.390133 -1.041887 3.614946
C -5.088227 0.802792 -1.191163
H 1.328050 3.379884 1.898988
H 1.900398 1.823062 2.736843
H 3.687142 -1.860805 -1.104273
H 2.671858 -2.486971 0.320503
H 3.554507 2.868339 -1.200303
H 2.339206 3.923276 -0.428700
H 4.032914 3.920991 0.171330
H 3.693975 0.410638 1.756079
H 4.360596 0.704689 0.116215
H 4.866392 1.738308 1.485352
H 1.618564 -2.862870 -3.505483
H 0.674792 -1.334165 -3.399515
H 2.457325 -1.286745 -3.295635
H 0.188527 -2.884313 0.074797
H -0.670647 -2.506254 -1.440346
H 0.427909 -3.913627 -1.369217
H -3.268723 1.514525 -2.204239
H -3.544595 -0.249954 -2.351107
H -3.092030 -1.848578 3.872941
H -1.531289 -1.078233 4.309501
H -2.873236 -0.058245 3.721964
H -5.164590 1.666876 -0.509521
H -5.437607 -0.096699 -0.656256
H -5.757145 0.977946 -2.053504


