%chk=000000762.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000762

0 1
 P    3.837900      -1.525400      -1.247800    
 P    4.566700       1.300000     -0.8587000    
 P    2.877500       2.834500       1.011000    
 O  -2.1000000E-02  -1.252000     -5.0900001E-02
 O   -1.914500      -1.134000       2.967400    
 O   4.3400001E-02  -3.531800       2.718100    
 O    2.508000      -2.303700     -0.7540000    
 O    3.598300      9.3000000E-03 -0.8037000    
 O    4.996200      -2.027000     -0.2359000    
 O    4.167200      -1.700500      -2.701900    
 O   -6.138700      0.3113000      -2.414000    
 O    3.602000       2.511000     -0.3970000    
 O    4.770800       1.563500      -2.440500    
 O    5.838000       1.179400     -7.1199998E-02
 O    1.957300       4.117000      0.6626000    
 O    1.806600       1.635000       1.171400    
 O    3.814000       3.017600       2.168800    
 N   -2.324300     -0.7423000     -0.2281000    
 N   -3.605800       1.128300      0.6521000    
 N   -3.681200      -1.248500      -1.943100    
 N   -5.614400       1.615200     -0.5708000    
 N   -4.973200       2.867900       1.320000    
 C   -1.380800      -1.795300       1.833700    
 C   3.5000000E-02  -2.268600       2.081000    
 C   -1.183200     -0.8183000      0.6817000    
 C   0.5850000      -2.341100      0.6660000    
 C    2.096300      -2.213300      0.5994000    
 C   -3.359900      0.1284000     -0.1985000    
 C   -2.563800      -1.561600      -1.308800    
 C   -4.179200     -0.1859000      -1.243100    
 C   -5.389200      0.5755000      -1.481700    
 C   -4.770800       1.855600      0.4163000    
 H   -2.047100      -2.626500       1.573000    
 H   0.5887000      -1.555900       2.704300    
 H  -0.9856000      0.2010000       1.033800    
 H   0.2766000      -3.268000      0.1656000    
 H    2.581100      -3.016800       1.162500    
 H    2.413800      -1.253200       1.018600    
 H   -1.932200      -1.775000       3.698200    
 H  -0.3998000      -3.429800       3.577500    
 H   -1.898300      -2.369100      -1.582500    
 H   -3.001100       1.363000       1.432400    
 H    5.417700      -2.898700     -0.3924000    
 H   -4.317800       3.043400       2.073700    
 H   -5.785800       3.471600       1.258300    
 H    5.401000      0.9998000      -2.937900    
 H    1.476900       4.568100       1.389100    
 H    1.290100       1.565100       2.002300    


%chk=000000762-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000762

0 1
P 4.066216 -2.193696 -0.922541
P 5.196341 0.699721 -0.854550
P 2.579611 2.327676 -0.127056
O 0.189620 -0.562806 0.371717
O -2.392137 -0.880549 2.877404
O -0.756933 -3.487035 2.418490
O 2.462207 -2.540011 -0.447161
O 3.936201 -0.432908 -1.216181
O 4.913740 -2.254461 0.555037
O 4.559599 -3.005910 -2.173725
O -5.746574 1.763039 -2.556823
O 4.324037 2.002638 -0.265160
O 5.774069 1.360418 -2.305497
O 6.288743 0.010961 0.087788
O 2.041586 1.098862 0.871173
O 2.715987 3.592658 1.001704
O 1.852742 2.587977 -1.504158
N -1.999755 0.254153 -0.179732
N -4.103875 0.652984 1.118843
N -2.755616 0.892743 -2.241534
N -5.936558 1.500359 -0.225871
N -6.201994 1.180197 2.080365
C -1.630077 -1.358482 1.725650
C -0.350653 -2.132506 2.081744
C -1.119210 -0.139476 0.919078
C 0.465582 -1.994195 0.770773
C 1.962858 -2.216866 0.907833
C -3.334122 0.629898 -0.034806
C -1.694252 0.452551 -1.562693
C -3.799765 1.013862 -1.300862
C -5.203562 1.449300 -1.465965
C -5.423287 1.130161 0.934761
H -2.255553 -2.012318 1.084608
H 0.178030 -1.632285 2.921309
H -0.940288 0.715848 1.600737
H 0.057037 -2.657148 -0.013678
H 2.155263 -3.094269 1.554369
H 2.474707 -1.336332 1.337909
H -2.657159 -1.661776 3.426700
H -0.017648 -3.989457 2.843334
H -0.703216 0.257562 -1.960904
H -3.758433 0.238636 1.997756
H 5.655293 -1.553057 0.623883
H -5.811487 1.120737 3.017292
H -7.153731 1.516759 1.952339
H 6.490846 0.843590 -2.758074
H 1.289041 0.464236 0.534870
H 3.194926 4.397215 0.675804


