%chk=000001523.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001523

0 1
P 2.200161 -3.560428 -0.265478
O -3.526514 1.932977 -0.217324
O -2.915657 0.983311 -2.221011
O 0.884960 3.301821 -1.130776
O 2.373780 -1.868738 -0.235384
O -5.066012 -1.178036 2.239063
O -5.141420 -0.853496 -0.054700
O 2.675928 -3.976951 1.340316
O 0.480376 -3.771462 -0.196418
O 2.920321 -4.328796 -1.447570
N -0.937915 0.396058 0.305208
N 3.746142 2.248213 0.997613
C -2.271274 -0.158580 -0.112569
C 0.091457 0.595993 -0.763131
C -3.048534 -0.401967 1.203656
C -2.093928 -1.462218 -0.913876
C 1.358725 1.154697 -0.139144
C -2.958972 0.908921 -0.996737
C 2.216192 0.362022 0.674240
C 1.736810 2.502613 -0.348644
C -4.491202 -0.819730 1.012154
C 1.902904 -1.077958 0.971211
C 2.937150 3.024273 0.220943
C 3.382019 0.952566 1.214193
C 3.355858 4.460230 -0.018083
H -1.067594 1.264795 0.847780
H -0.251608 1.268411 -1.574242
H 0.317016 -0.386941 -1.208960
H -2.520792 -1.174146 1.791081
H -3.059283 0.515423 1.822136
H -1.661220 -1.261098 -1.906983
H -3.076015 -1.933717 -1.079495
H -1.434065 -2.152753 -0.359636
H 0.817798 -1.239383 1.093597
H 2.453686 -1.446775 1.853137
H 4.059675 0.364142 1.843341
H 3.506641 4.679787 -1.094661
H 2.618338 5.184967 0.381883
H 4.312763 4.633889 0.496482
H -3.892176 2.633815 -0.821496
H 1.271484 4.202845 -1.263419
H -6.018519 -1.429237 2.091822
H 3.194451 -4.817645 1.408949
H 0.131468 -4.371014 -0.904471


%chk=000001523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001523

0 1
P 2.249120 -3.552132 -0.329205
O -3.515369 1.891890 -0.278858
O -2.854551 0.886713 -2.265803
O 0.843718 3.294351 -1.094856
O 2.447537 -1.861128 -0.264197
O -5.084508 -1.055988 2.272779
O -5.109953 -0.908974 -0.041165
O 2.663293 -3.956739 1.287898
O 0.536301 -3.865512 -0.256177
O 2.985516 -4.262031 -1.534038
N -0.915705 0.375486 0.319763
N 3.753038 2.275476 0.984909
C -2.247574 -0.187119 -0.091092
C 0.112392 0.570609 -0.750964
C -3.037691 -0.383315 1.224971
C -2.067370 -1.518393 -0.845716
C 1.375074 1.146729 -0.134379
C -2.924616 0.849706 -1.019874
C 2.256834 0.362467 0.660531
C 1.722562 2.504348 -0.333026
C -4.481510 -0.798689 1.034512
C 1.974553 -1.085567 0.951098
C 2.918882 3.044045 0.227758
C 3.417918 0.970395 1.191805
C 3.305475 4.490805 0.000307
H -1.047155 1.248999 0.854033
H -0.236205 1.231002 -1.569678
H 0.345817 -0.414567 -1.187381
H -2.520699 -1.141021 1.840785
H -3.046478 0.552030 1.815488
H -1.613632 -1.352754 -1.836324
H -3.050294 -1.986792 -1.014219
H -1.427046 -2.194223 -0.251686
H 0.894575 -1.269216 1.088772
H 2.541999 -1.449707 1.823399
H 4.115411 0.388886 1.805365
H 3.441645 4.724714 -1.075189
H 2.557013 5.195825 0.414881
H 4.263555 4.678725 0.507615
H -3.871213 2.575324 -0.908005
H 1.211976 4.203160 -1.226271
H -6.035775 -1.311996 2.126022
H 2.523522 -4.901921 1.545206
H 0.143021 -4.103200 -1.135197


