%chk=000114075.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114075

0 1
 P   -1.498800      0.2921000      0.2486000    
 P    1.469300      9.2900001E-02 -0.1806000    
 O  -5.9000000E-02 -0.4233000      1.3900000E-02
 O   -1.504600       1.056900       1.550900    
 O    1.605100      0.8704000      -1.468100    
 N   -2.637800     -0.9233000      0.1293000    
 N    2.392200      -1.309200     -0.1404000    
 N   -1.706400       1.264800      -1.104100    
 N    1.846400      0.9399000       1.208400    
 C   -2.453600      -2.147100      0.9078000    
 C   -4.052500     -0.5633000      8.8500001E-02
 C    2.056700      -2.355000      -1.111600    
 C    3.848400      -1.145200     -0.1047000    
 C   -1.008100       2.553700      -1.110700    
 C    1.541400       2.366900       1.269700    
 C   -1.536200      0.6274000      -2.413000    
 C    1.599600      0.3173000       2.508100    
 C   -2.941500      -1.968200       2.335500    
 C   -4.881000      -1.664600     -0.5511000    
 C    2.692800      -3.681400     -0.7318000    
 C    4.389200     -0.7446000      -1.466700    
 C   -1.564900       3.474300      -2.183500    
 C    2.403300       3.068400       2.305700    
 H   -2.927800      -3.016000      0.4400000    
 H   -1.386800      -2.398100      0.9323000    
 H   -4.451400     -0.2683000       1.064300    
 H   -4.168100      0.3224000     -0.5473000    
 H   0.9712000      -2.509200      -1.076600    
 H    2.273100      -2.077700      -2.148100    
 H    4.106000     -0.3609000      0.6163000    
 H    4.360700      -2.035900      0.2731000    
 H   -1.180800       3.046200     -0.1476000    
 H   6.5800004E-02   2.473900      -1.238400    
 H    1.771700       2.823400      0.3014000    
 H   0.4860000       2.555600       1.475300    
 H  -0.4914000      0.5493000      -2.721000    
 H   -2.100900       1.147200      -3.193200    
 H   -1.942100     -0.3897000      -2.400000    
 H    2.335300      0.6302000       3.255200    
 H    1.700700     -0.7709000       2.438900    
 H   0.5947000      0.5212000       2.887100    
 H   -2.525100      -1.073400       2.807600    
 H   -4.032200      -1.931600       2.409500    
 H   -2.618400      -2.825800       2.936600    
 H   -4.437600      -2.010900      -1.491200    
 H   -5.023800      -2.523700      0.1110000    
 H   -5.880000      -1.280400     -0.7859000    
 H    3.763300      -3.716000     -0.9548000    
 H    2.542400      -3.915200      0.3278000    
 H    2.227000      -4.487400      -1.310100    
 H    4.343900      -1.552300      -2.202600    
 H    3.902800      0.1407000      -1.880700    
 H    5.451200     -0.4916000      -1.362400    
 H   -1.252200       3.180200      -3.190200    
 H   -2.659000       3.519300      -2.150600    
 H   -1.192200       4.492200      -2.022500    
 H    2.100400       2.831300       3.330200    
 H    3.463500       2.821000       2.183700    
 H    2.305300       4.153600       2.190300    


%chk=000114075-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114075

0 1
P -1.491130 0.336334 0.160517
P 1.572138 0.159454 -0.230407
O -0.016330 -0.614695 -0.071688
O -1.406389 1.205164 1.506133
O 1.607026 1.148039 -1.492279
N -2.612283 -0.986773 0.008074
N 2.513342 -1.294763 -0.199708
N -1.800755 1.321285 -1.230900
N 1.990467 0.970819 1.243018
C -2.270743 -2.299697 0.618788
C -4.060096 -0.648141 -0.087428
C 2.004746 -2.558398 -0.790704
C 3.986790 -1.160692 -0.049587
C -1.534879 2.782937 -1.127432
C 1.897491 2.456321 1.283265
C -1.632611 0.723338 -2.576006
C 1.758291 0.271040 2.527019
C -2.378484 -2.337582 2.161067
C -4.756492 -1.388592 -1.246733
C 1.840710 -3.669858 0.266481
C 4.727931 -0.818703 -1.363013
C -2.641516 3.619639 -1.796786
C 3.113934 3.091191 1.983546
H -2.949694 -3.048107 0.168459
H -1.245768 -2.558585 0.307009
H -4.568255 -0.879180 0.872150
H -4.150464 0.441530 -0.245834
H 1.031553 -2.361091 -1.270130
H 2.699720 -2.890170 -1.588849
H 4.183817 -0.379989 0.707619
H 4.359153 -2.116522 0.366299
H -1.479104 3.032300 -0.052624
H -0.545907 3.004691 -1.580411
H 1.840203 2.812457 0.239171
H 0.954309 2.744979 1.792101
H -0.599222 0.880086 -2.945251
H -2.352114 1.181212 -3.277864
H -1.838294 -0.359024 -2.527852
H 2.507398 0.600774 3.268588
H 1.871983 -0.816748 2.382462
H 0.739275 0.484263 2.907950
H -1.689391 -1.602833 2.613948
H -3.401321 -2.101859 2.506754
H -2.115786 -3.344000 2.537757
H -4.303161 -1.107157 -2.212657
H -4.680072 -2.485401 -1.136954
H -5.831260 -1.128006 -1.273329
H 2.795389 -3.883866 0.780872
H 1.100142 -3.364790 1.026451
H 1.494308 -4.607411 -0.208802
H 4.571924 -1.598034 -2.131124
H 4.364988 0.140593 -1.772099
H 5.815705 -0.736064 -1.179622
H -2.711919 3.424218 -2.881917
H -3.623495 3.404668 -1.339295
H -2.424386 4.696051 -1.666239
H 3.197204 2.774864 3.039127
H 4.048929 2.818169 1.463125
H 3.017653 4.192810 1.973276


