%chk=000189137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189137

0 1
P 3.495862 -1.586569 -0.018021
O -0.442867 -2.427203 1.285262
O -3.201858 -3.827420 0.667305
O -1.335372 -5.276665 -0.164127
O 2.356992 -2.723657 0.249380
O 2.577120 -0.199714 0.431182
O 3.421350 -1.527955 -1.661270
O 4.748455 -1.803334 0.689949
O 4.161243 0.641315 -0.803705
N -1.559196 -0.639914 0.296544
N -0.579870 1.411460 -0.063144
N -3.624378 -0.311751 -1.100197
N -3.704230 1.901156 -2.144921
N -1.993182 3.512743 -1.896761
N 3.708421 2.794544 1.307220
C -2.305291 -3.027232 -0.107891
C -1.089781 -3.926200 -0.494401
C -1.741422 -1.988873 0.897671
C 0.108821 -3.367088 0.316483
C 1.148756 -2.656230 -0.555328
C -2.425691 0.067502 -0.545257
C -0.449739 0.235862 0.558270
C -1.799821 1.346017 -0.760722
C -2.491126 2.272087 -1.598449
C 2.231612 3.098266 -0.801227
C 2.663940 2.232464 0.420827
C -4.195734 0.652057 -1.872560
C 3.233754 0.907898 -0.053112
C 1.430659 4.306408 -0.307095
C 3.419563 3.533844 -1.657469
H -2.825643 -2.588593 -0.983768
H -0.904239 -3.957060 -1.589667
H -2.332548 -1.917145 1.845859
H 0.596504 -4.136240 0.965541
H 0.860161 -1.613791 -0.785449
H 1.357390 -3.212919 -1.493161
H -3.974387 -4.096849 0.117346
H -1.820883 -5.339265 0.708214
H 0.383175 -0.089246 1.185378
H 1.550686 2.462217 -1.427568
H 1.746393 2.018633 1.046529
H -5.166544 0.406836 -2.338494
H 2.019634 4.956756 0.348468
H 1.098921 4.926043 -1.147617
H 0.540192 3.988393 0.252872
H 3.084110 3.959705 -2.610265
H 4.034606 4.296299 -1.168360
H 4.080499 2.686918 -1.899053
H 4.111788 -0.965073 -2.126656
H -2.519234 4.153685 -2.470839
H -1.124799 3.823860 -1.489693
H 4.489080 3.170555 0.773104
H 3.328945 3.543365 1.878444


%chk=000189137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189137

0 1
P 3.663155 -1.734785 0.516586
O -0.473116 -2.469880 1.326768
O -2.933506 -4.172912 0.697600
O -1.278996 -4.970847 -1.196853
O 2.344844 -2.794503 0.699198
O 2.802079 -0.109517 0.471205
O 4.118141 -1.940102 -1.118027
O 4.731009 -1.814821 1.668328
O 4.129564 0.729448 -1.257727
N -1.647166 -0.658586 0.288808
N -0.728257 1.392914 -0.174409
N -3.877551 -0.350801 -0.789599
N -4.095234 1.869704 -1.825269
N -2.377120 3.487403 -1.787827
N 3.577209 2.855591 1.106905
C -2.370492 -3.037872 -0.043589
C -1.106230 -3.603644 -0.758990
C -1.788226 -1.996580 0.939278
C 0.037500 -3.423355 0.293580
C 1.306330 -2.890688 -0.361250
C -2.623808 0.054076 -0.422765
C -0.542124 0.199603 0.423143
C -2.030470 1.315675 -0.705308
C -2.825729 2.242193 -1.443987
C 2.443240 3.264614 -1.109494
C 2.685160 2.290098 0.081084
C -4.540585 0.623640 -1.484931
C 3.268752 0.932115 -0.354575
C 1.491671 4.388023 -0.634711
C 3.742975 3.853136 -1.708342
H -3.110174 -2.595111 -0.731258
H -0.898276 -3.014345 -1.669429
H -2.394965 -1.893434 1.855362
H 0.242300 -4.373965 0.814017
H 1.128768 -1.898675 -0.818114
H 1.657534 -3.597904 -1.134187
H -3.903471 -4.047721 0.833181
H -1.872949 -5.404032 -0.521468
H 0.356112 -0.108182 0.952993
H 1.925973 2.675806 -1.893913
H 1.705173 2.087582 0.543470
H -5.554958 0.376762 -1.811874
H 1.943557 4.938127 0.210007
H 1.297784 5.107794 -1.452200
H 0.531543 3.960709 -0.288352
H 3.503304 4.468455 -2.594464
H 4.247547 4.516519 -0.980541
H 4.444489 3.061596 -2.022039
H 4.404565 -1.049991 -1.513690
H -2.996225 4.103925 -2.310825
H -1.444943 3.793408 -1.514693
H 4.530469 3.058727 0.793756
H 3.534623 2.405513 2.025032


