%chk=000000939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000939

1 1
 P    5.026100      -1.295600      0.3154000    
 O   0.8635000     -0.1044000      0.2125000    
 O    1.682500       3.094300      -1.191200    
 O  -0.9220000       2.984000      0.4853000    
 O    3.566600     -0.7919000     -0.1697000    
 O    5.053800     -0.9320000       1.891000    
 O    6.020500     -0.1997000     -0.3367000    
 O    5.348400      -2.722600     -1.9500000E-02
 O   -5.264300      0.1982000       1.722800    
 N   -1.539500     -0.1075000     -9.2000000E-02
 N   -6.212200      -1.210300      0.1811000    
 C    1.273200       2.189700     -0.1832000    
 C  -0.2245000       1.974400     -0.2223000    
 C    1.789900      0.7826000     -0.4374000    
 C  -0.3608000      0.6158000      0.4486000    
 C    3.186300      0.5456000      0.1091000    
 C   -2.726600      1.4000000E-02  0.5290000    
 C   -1.394700     -0.8685000      -1.191700    
 C   -3.845000     -0.6497000      4.5299999E-02
 C   -2.478500      -1.555400      -1.719900    
 C   -3.714900      -1.441800      -1.091500    
 C   -5.127700     -0.5190000      0.7151000    
 H    1.582900       2.584600      0.7920000    
 H  -0.5971000       1.967600      -1.253700    
 H    1.774400      0.5398000      -1.507600    
 H  -0.4909000      0.6940000       1.534800    
 H    3.195700      0.6906000       1.194300    
 H    3.899500       1.235300     -0.3521000    
 H    2.653600       3.136200      -1.170800    
 H  -0.6995000       3.835500      7.1599998E-02
 H   -2.747300      0.6517000       1.404700    
 H  -0.4188000     -0.9144000      -1.658700    
 H   -2.364000      -2.165900      -2.609200    
 H   -4.533100      -1.993600      -1.538800    
 H    5.827000      -1.207600       2.428000    
 H    6.989200     -0.3345000     -0.2628000    
 H   -6.188000      -1.808700     -0.6346000    
 H   -7.121300      -1.130600      0.6259000    


%chk=000000939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000939

1 1
P 5.056910 -1.385753 -0.276461
O 0.911285 -0.024678 0.639505
O 1.372954 3.338840 -0.803196
O -1.135542 2.850317 1.111307
O 3.538851 -0.615578 -0.502065
O 5.202520 -1.136484 1.409907
O 6.229288 -0.253141 -0.846402
O 5.115821 -2.835306 -0.894929
O -5.255041 1.288797 -0.095085
N -1.457203 -0.288038 0.186800
N -6.253469 -0.780458 -0.464677
C 1.188789 2.313169 0.206714
C -0.328245 2.007649 0.256153
C 1.768790 0.924483 -0.174248
C -0.368693 0.580921 0.848125
C 3.215767 0.655277 0.181580
C -2.748484 0.166571 0.218843
C -1.120449 -1.495794 -0.374315
C -3.789427 -0.604959 -0.330569
C -2.124457 -2.293238 -0.943417
C -3.467888 -1.853181 -0.921446
C -5.166033 0.040617 -0.286867
H 1.545022 2.627673 1.209845
H -0.686522 2.023404 -0.796164
H 1.603696 0.728189 -1.251553
H -0.617830 0.607344 1.924095
H 3.356272 0.546735 1.271451
H 3.866556 1.464632 -0.205414
H 2.233656 3.812691 -0.688727
H -1.169574 3.772029 0.749925
H -2.940623 1.150520 0.662478
H -0.061089 -1.760944 -0.334782
H -1.847427 -3.247291 -1.397306
H -4.239743 -2.475995 -1.384564
H 6.048643 -1.424268 1.835019
H 6.665179 -0.499419 -1.702595
H -6.200309 -1.796190 -0.520048
H -7.179550 -0.348943 -0.453817


