%chk=000122036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122036

1 1
 P    4.053000      0.2659000     -0.8807000    
 P    2.990800      -2.272600      0.1652000    
 P   0.6928000      -1.763100       1.943800    
 O   0.3756000       2.481600      -1.330400    
 O   -1.241100       3.968200      0.9817000    
 O    1.180300       3.316900       2.068700    
 O    2.680100       1.079700     -0.6131000    
 O    3.598500      -1.282600     -0.9561000    
 O   -3.866600      -2.937700     -0.9522000    
 O    4.434500      0.6146000      -2.413600    
 O    5.149600      0.5374000      0.1079000    
 O    1.709800      -1.462200      0.7245000    
 O    4.053900      -2.181000       1.379600    
 O    2.691600      -3.665200     -0.3060000    
 O  -0.4181000     -0.5992000       1.789400    
 O  -8.8299997E-02  -3.095000       1.466700    
 O    1.342400      -1.849400       3.293500    
 N   -1.381800      0.9125000     -0.9169000    
 N   -1.424300      -1.174700      -1.529800    
 N   -3.619300       1.010400      0.1349000    
 N   -4.793900      -1.086200      3.3799998E-02
 N   -5.736000      0.8236000       1.042300    
 C  -0.9167000       2.286400     -0.7158000    
 C  -0.7765000       2.637900      0.7635000    
 C   0.7182000       2.530400      0.9916000    
 C    1.278900       2.997300     -0.3397000    
 C    2.685900       2.497100     -0.6139000    
 C   -2.591000      0.3949000     -0.5214000    
 C  -0.6830000     -5.7700001E-02  -1.529600    
 C   -2.620600     -0.9202000     -0.9074000    
 C   -1.007700      -2.438000      -2.101600    
 C   -3.755600      -1.754700     -0.6429000    
 C   -4.715200      0.1849000      0.3842000    
 H   -1.623500       2.945700      -1.233300    
 H   -1.333900       1.993300       1.447700    
 H   0.9772000       1.484600       1.183700    
 H    1.271900       4.092600     -0.4051000    
 H    3.391500       2.859900      0.1395000    
 H    3.014500       2.834900      -1.602000    
 H   0.3051000      3.4499999E-02  -1.951200    
 H   -2.193200       3.979200      0.7839000    
 H    2.146300       3.219000       2.113600    
 H   -3.644800       1.979600      0.4349000    
 H   1.5300000E-02  -2.357900      -2.479500    
 H   -1.041500      -3.214700      -1.333200    
 H   -1.675700      -2.698800      -2.926900    
 H   -6.591300      0.3347000       1.283500    
 H   -5.666100       1.799800       1.307800    
 H    4.886500       1.462800      -2.609600    
 H    4.893800      -2.683300       1.314100    
 H   -1.112100     -0.5091000       2.476400    
 H  -0.7197000      -3.522500       2.083800    


%chk=000122036-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122036

1 1
P 4.070001 0.512704 -0.240664
P 2.353582 -2.050476 0.238252
P 2.119068 -0.740644 3.275530
O 0.050411 2.374994 -1.293863
O -1.557990 3.060865 1.542762
O 1.014794 2.831056 2.196411
O 2.711939 1.213339 -0.980788
O 3.700093 -1.148475 -0.430337
O -4.231258 -3.011060 -2.244200
O 5.317995 0.764143 -1.340587
O 4.388546 0.994081 1.249172
O 1.976925 -1.046942 1.530781
O 3.116585 -3.361994 0.977404
O 1.202112 -2.311575 -0.808685
O 2.675904 0.838875 3.109821
O 0.483288 -0.413016 3.633630
O 2.863286 -1.843355 4.115073
N -1.641462 0.729080 -1.182769
N -1.653281 -1.252203 -2.187514
N -4.039211 0.751925 -0.446661
N -5.288773 -1.227320 -1.117106
N -6.345266 0.493120 0.052130
C -1.181890 2.021573 -0.610710
C -0.893319 1.935137 0.915314
C 0.657343 2.081888 1.011005
C 1.020390 2.864590 -0.270901
C 2.426870 2.681745 -0.816924
C -2.930296 0.212222 -1.067137
C -0.873357 -0.190675 -1.864848
C -2.956557 -1.030484 -1.699030
C -1.206354 -2.462148 -2.925952
C -4.182956 -1.859912 -1.729117
C -5.226002 -0.038609 -0.528847
H -1.968368 2.778250 -0.801090
H -1.232917 0.978935 1.358876
H 1.118914 1.080110 0.993323
H 0.853123 3.947486 -0.098994
H 3.150502 3.145549 -0.121245
H 2.527933 3.116368 -1.823436
H 0.179172 -0.063296 -2.092438
H -0.942925 3.388646 2.261935
H 1.547024 2.238074 2.808619
H -3.993568 1.616690 0.099096
H -1.064062 -2.215744 -3.990532
H -0.264445 -2.815428 -2.480149
H -1.997903 -3.220813 -2.832813
H -7.191138 -0.074451 0.009490
H -6.390158 1.422572 0.464701
H 6.242780 0.569019 -1.035448
H 3.207705 -4.201445 0.456436
H 3.483810 0.950658 2.441517
H 0.093861 -0.979129 4.349807


