%chk=000008339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008339

0 1
 P    3.746500       1.834900      0.6971000    
 O   0.9550000      -1.823200      -1.001500    
 O    3.605200      0.3918000     -1.1800000E-02
 O    1.664200       1.217700      -1.738800    
 O    2.895700      -3.869900     -0.8583000    
 O    5.323600       2.171600      0.5777000    
 O    3.560000       1.477500       2.263200    
 O    2.822500       2.895800      0.1747000    
 O   -4.929300     -0.3735000       1.973200    
 N  -0.9160000     -0.6851000     -8.5699998E-02
 N   -2.585300      0.7249000      -1.154500    
 N   -2.157500      -1.332000       1.669600    
 N   -4.683900      0.8309000      8.2000000E-03
 N   -4.311200       2.010100      -1.998400    
 C    2.357700     -0.2649000      5.7100002E-02
 C    1.224400      0.5228000     -0.5731000    
 C   0.2363000     -0.5712000     -0.9813000    
 C    2.343400      -1.552000     -0.7491000    
 C    2.973200      -2.727500     -2.3700001E-02
 C   -2.129300     -9.6699998E-02 -0.2055000    
 C  -0.9817000      -1.428200       1.072300    
 C   -2.876800     -0.4947000      0.8641000    
 C   -4.240000     -2.8200001E-02   1.021200    
 C   -3.896700       1.169100     -0.9967000    
 H    2.113700     -0.4814000       1.104700    
 H   0.7949000       1.262400      0.1099000    
 H  -0.1624000     -0.4164000      -1.990200    
 H    2.834100      -1.420400      -1.722200    
 H    2.443800      -2.958100      0.9066000    
 H    4.025300      -2.535900      0.2061000    
 H   0.8895000       1.667300      -2.117600    
 H  -0.1469000      -2.013500       1.433500    
 H   -2.031300       1.026600      -1.949400    
 H    1.956500      -4.025500      -1.056500    
 H    5.648300       3.041400      0.8942000    
 H    3.509300       2.209500       2.914200    
 H   -3.697600       2.262400      -2.765400    
 H   -5.246100       2.403000      -2.000300    


%chk=000008339-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008339

0 1
P 3.740238 2.091206 -0.422855
O 0.976271 -2.115685 -0.111383
O 3.202998 0.489662 -0.711878
O 0.528209 1.478151 -0.432197
O 3.103990 -3.962130 0.591324
O 4.527936 2.502771 -1.869228
O 5.051448 1.825869 0.617283
O 2.597578 3.080980 0.102343
O -5.863632 -0.855882 0.005840
N -1.197116 -1.217754 -0.270534
N -2.202692 1.038899 -0.662809
N -3.133955 -2.383627 0.095318
N -4.624060 1.075128 -0.516942
N -3.431182 3.033462 -0.988350
C 2.353231 -0.166157 0.327077
C 0.833696 0.230228 0.241839
C 0.210374 -0.950921 -0.555904
C 2.397124 -1.677620 -0.014005
C 3.070990 -2.571679 1.029524
C -2.253254 -0.316353 -0.385219
C -1.804152 -2.476739 0.015057
C -3.440695 -1.029097 -0.156600
C -4.739884 -0.324576 -0.201004
C -3.460314 1.675853 -0.714791
H 2.773209 0.066575 1.323132
H 0.424933 0.217148 1.273141
H 0.363367 -0.768248 -1.642592
H 2.886866 -1.803397 -0.999528
H 2.550538 -2.461788 2.005359
H 4.127406 -2.275585 1.144173
H 1.122391 2.236242 -0.113764
H -1.206524 -3.371404 0.152918
H -1.286916 1.524357 -0.694855
H 2.173223 -4.270572 0.444915
H 3.948933 2.794733 -2.619212
H 5.528441 2.625946 0.954886
H -2.585130 3.530888 -1.251314
H -4.332785 3.502518 -1.021565


