%chk=000125869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125869

0 1
 P   3.7400000E-02  -1.928700      0.1972000    
 P   -4.705900     -0.1375000      4.8599999E-02
 O   0.5703000       2.109300      0.7637000    
 O  -0.4512000     -0.4714000      0.6868000    
 O   -3.146100      0.1837000      0.3220000    
 O    1.099000       3.008800      -1.293400    
 O   0.7314000      -2.531100       1.527800    
 O   -1.334400      -2.776700      7.6700002E-02
 O   0.9045000      -1.933800      -1.027700    
 O   -5.085100      0.9124000      -1.121400    
 O   -4.677700      -1.558900     -0.7221000    
 O   -5.589100     -8.2099997E-02   1.260700    
 N    5.267800      -2.853500     -0.3781000    
 C    3.663900      0.6379000     -0.2244000    
 C    3.425000       1.609100      0.9367000    
 C  -0.8356000      0.4795000     -0.3090000    
 C    4.366600     -0.6359000      0.2565000    
 C    2.757000       2.907200      0.4838000    
 C  -0.7671000       1.867200      0.3151000    
 C   -2.246900      0.1500000     -0.7815000    
 C    4.614600      -1.645000     -0.8662000    
 C    1.401800       2.689500     -0.1519000    
 H    4.275600       1.125000     -0.9930000    
 H    2.710900      0.3662000     -0.6921000    
 H    4.383100       1.855500       1.410000    
 H    2.809700       1.118400       1.700600    
 H  -0.1324000      0.4206000      -1.146600    
 H    3.756600      -1.108200       1.037500    
 H    5.323500     -0.3657000      0.7212000    
 H    2.632300       3.592100       1.330100    
 H    3.394400       3.417800     -0.2476000    
 H   -1.111500       2.648200     -0.3729000    
 H   -1.395200       1.921700       1.211100    
 H   -2.565700      0.8809000      -1.531800    
 H   -2.279300     -0.8422000      -1.238200    
 H    5.239800      -1.188200      -1.641600    
 H    3.665200      -1.922600      -1.334500    
 H    5.469900      -3.470000      -1.164000    
 H    6.167400      -2.613300      3.6200002E-02
 H    1.204400      -3.388500       1.469500    
 H   -1.296300      -3.694300     -0.2676000    
 H   -6.019900      0.9843000      -1.409900    
 H   -5.527600      -1.996000     -0.9427000    


%chk=000125869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125869

0 1
P 0.117833 -1.966453 -0.603730
P -4.002257 -0.501930 0.154157
O 0.779666 2.107722 0.706960
O -0.618913 -0.568388 0.104366
O -3.205488 0.884971 -0.529952
O 1.014737 3.416827 -1.209078
O 0.955924 -2.809549 0.526495
O -1.359549 -2.917223 -0.716380
O 0.839332 -1.646938 -1.994037
O -5.604306 -0.112528 -0.329813
O -3.647354 -1.785668 -0.881044
O -3.838402 -0.695494 1.722309
N 3.428627 -3.093200 0.272388
C 3.730609 0.744652 -0.039579
C 3.560977 1.900402 0.979076
C -0.730500 0.693886 -0.689944
C 3.740480 -0.637276 0.651196
C 2.922274 3.160824 0.348770
C -0.633387 1.834995 0.327892
C -2.064796 0.724280 -1.447987
C 3.886111 -1.788624 -0.361472
C 1.505395 2.931337 -0.163638
H 4.653378 0.892409 -0.635884
H 2.888303 0.755449 -0.759027
H 4.541663 2.171476 1.415502
H 2.915232 1.564468 1.810162
H 0.089809 0.740367 -1.432800
H 2.781716 -0.752730 1.194650
H 4.552759 -0.682905 1.405835
H 2.876573 3.972995 1.101267
H 3.516105 3.539283 -0.501665
H -1.080694 2.752239 -0.090919
H -1.130649 1.553077 1.265981
H -2.096226 1.621564 -2.089979
H -2.187667 -0.175885 -2.078985
H 4.927881 -1.889394 -0.716296
H 3.224060 -1.622172 -1.231394
H 3.607905 -3.900196 -0.345758
H 3.894726 -3.252150 1.179794
H 2.223974 -2.981892 0.428959
H -1.257127 -3.852756 -0.416878
H -6.268893 -0.308438 0.378570
H -2.744742 -2.279732 -0.774488


