%chk=000000797.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000797

0 1
 P    4.715200      -1.073100     -1.2400000E-02
 O   0.3412000       1.070700      -1.220000    
 O   0.2948000       3.788000      0.6082000    
 O   0.8995000      0.4005000       1.648500    
 O    3.642100      0.1381000      1.4400000E-02
 O    4.916400      -1.373100      -1.588700    
 O    3.844800      -2.336600      0.4985000    
 O   -5.082300      -1.978400      0.2292000    
 O    5.977400     -0.8195000      0.7588000    
 N   -1.888200       1.160900     -0.4177000    
 N   -4.091500      0.7520000     -0.2931000    
 N   -1.117600      -1.113400     -1.9099999E-02
 N   -2.884100      -2.716500      0.3142000    
 C  -4.6599999E-02   2.409700      0.7349000    
 C  -0.6410000       1.909300     -0.5851000    
 C    1.209800       1.578200      0.9142000    
 C    1.586400       1.231200     -0.5212000    
 C    2.422500     -2.4100000E-02 -0.6912000    
 C   -2.041600     -0.1601000     -0.1728000    
 C   -3.163400       1.675100     -0.4831000    
 C   -3.385000     -0.4013000     -9.8399997E-02
 C   -3.882200      -1.742900      0.1587000    
 C   -1.626600      -2.374600      0.2231000    
 H  -0.7440000       2.324300       1.574400    
 H  -0.8659000       2.732100      -1.274400    
 H    2.021600       2.103700       1.426900    
 H    2.107800       2.084700     -0.9735000    
 H    2.629000     -0.1812000      -1.755600    
 H    1.902200     -0.9168000     -0.3359000    
 H   0.9023000       3.886200     -0.1443000    
 H   0.6196000      0.6767000       2.537900    
 H   -3.350900       2.723900     -0.6693000    
 H  -0.1212000     -0.9473000     -6.1299998E-02
 H  -0.8365000      -3.132400      0.3453000    
 H    5.584000      -2.036900      -1.864000    
 H    4.298300      -3.191300      0.6593000    


%chk=000000797-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000797

0 1
P 4.061543 -1.646185 -0.132216
O 0.611384 2.112602 -1.227948
O -0.095254 3.905294 1.240675
O 1.124707 0.537487 1.854955
O 3.055715 -0.298094 0.231673
O 4.732174 -1.299401 -1.684171
O 2.824007 -2.732882 -0.571112
O -4.179091 -2.829005 -0.834595
O 5.082669 -1.987091 1.021199
N -1.556302 1.061574 -0.669601
N -3.241970 -0.031665 -1.792514
N -1.145729 -0.715213 1.083719
N -2.600702 -2.650031 0.914123
C -0.167138 2.462250 1.011640
C -0.649029 2.187825 -0.440987
C 1.240026 1.803518 1.120234
C 1.715375 1.619032 -0.361465
C 2.024342 0.164675 -0.757007
C -1.759037 -0.169839 -0.026790
C -2.498065 1.069451 -1.742946
C -2.798445 -0.829418 -0.715782
C -3.278813 -2.151438 -0.276619
C -1.635869 -1.966116 1.490170
H -0.853025 2.092878 1.788252
H -1.170859 3.077522 -0.830119
H 1.909759 2.478099 1.681595
H 2.589171 2.254937 -0.582375
H 2.438599 0.119128 -1.777628
H 1.143507 -0.493213 -0.679683
H 0.475011 4.325703 0.544706
H 1.974716 0.026548 1.716148
H -2.555719 1.911861 -2.429653
H -0.304123 -0.283417 1.536954
H -1.139285 -2.377155 2.377911
H 5.681988 -1.014669 -1.670320
H 3.090065 -3.609753 -0.945023


