%chk=000193665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193665

0 1
P 2.158539 1.225177 -1.740731
P 4.998638 1.630263 -1.670049
O -1.634162 -0.021418 0.948721
O 0.837438 -1.382819 2.023354
O -3.734563 -1.509442 3.023819
O -4.967231 -1.057566 0.849545
O 1.601906 0.793824 3.346175
O 1.355117 -0.101885 -1.216599
O 4.455173 -0.233978 1.397684
O 3.697265 0.593717 -1.764870
O 5.386455 0.321467 3.760478
O 2.133882 2.098703 -0.339569
O -5.240700 1.442914 -4.999819
O 1.533635 1.764868 -2.948221
O 3.855647 2.884327 -1.757320
O 5.350840 1.542586 -0.112441
O 6.056845 1.635248 -2.656321
N -2.786645 0.348684 -1.087057
N -6.206087 -0.118209 -3.663555
C -1.615828 -1.102168 1.957232
C -2.960517 -1.854357 1.889098
C -3.729245 -1.336553 0.608579
C -2.931332 0.070791 0.381878
C -0.414921 -1.987537 1.626533
C 1.282937 -0.279663 1.197182
C 2.264041 0.468611 2.126332
C -3.956904 0.399931 -1.815447
C -1.567780 0.520370 -1.696241
C 1.905562 -0.833672 -0.090935
C 3.521380 -0.353235 2.491748
C -3.910638 0.640713 -3.187869
C -1.499846 0.804368 -3.062147
C -2.672967 0.869498 -3.816808
C 4.188647 0.153674 3.777647
C -5.158917 0.711972 -4.028928
H -1.497022 -0.557396 2.920162
H -2.846099 -2.953454 1.898674
H -3.535665 -1.998083 -0.260109
H -3.464757 0.924841 0.856979
H -0.379159 -2.250410 0.555107
H -0.406562 -2.908685 2.246110
H 0.411374 0.389656 0.962826
H -4.648876 -1.161395 2.668191
H 2.544908 1.461024 1.689171
H -4.903263 0.230003 -1.247610
H -0.665154 0.412032 -1.055335
H 1.559845 -1.870783 -0.289805
H 3.015219 -0.838746 -0.101712
H 3.283109 -1.442988 2.578250
H -0.512602 0.991741 -3.525661
H -2.644327 1.103084 -4.890353
H 0.968192 0.066022 3.598930
H 3.534525 0.332933 4.641525
H 5.400457 -0.181080 1.768932
H -7.066250 -0.093472 -4.196545
H -6.187114 -0.747993 -2.877833
H 2.357617 3.076671 -0.397346
H 3.967619 3.593466 -2.439307
H 4.613024 1.139407 0.547284


%chk=000193665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193665

0 1
P 2.064489 0.904588 -2.114324
P 5.007269 1.759296 -1.353241
O -1.543523 0.175712 0.756748
O 0.825526 -1.229107 2.143689
O -4.020394 -1.285199 2.385488
O -4.773625 -1.240640 -0.224067
O 1.743556 0.846823 3.484330
O 1.473836 -0.432670 -1.215330
O 4.791770 -0.440869 1.746182
O 3.800734 0.705038 -2.049122
O 5.521980 -0.096673 4.197335
O 1.772410 2.200947 -1.036704
O -6.135782 0.804156 -4.741949
O 1.422728 0.965104 -3.551789
O 4.132277 3.257159 -1.556243
O 4.835855 1.568774 0.285495
O 6.417568 1.698037 -2.053632
N -2.839465 0.810595 -1.204510
N -6.368770 -0.401287 -2.735107
C -1.651535 -0.968411 1.756939
C -2.983962 -1.709893 1.455787
C -3.414680 -1.215102 0.031824
C -2.849796 0.280955 0.163073
C -0.406551 -1.847039 1.616212
C 1.492794 -0.205368 1.290432
C 2.481132 0.466162 2.280054
C -4.119971 0.870381 -1.727962
C -1.727335 0.816771 -2.018712
C 2.136786 -0.857046 0.044715
C 3.663480 -0.466073 2.711357
C -4.309721 0.776024 -3.115123
C -1.884953 0.919385 -3.406973
C -3.187797 0.859523 -3.970996
C 4.268649 -0.110851 4.074517
C -5.693908 0.424746 -3.616215
H -1.705707 -0.517005 2.764822
H -2.862153 -2.811507 1.476544
H -2.767963 -1.717097 -0.735351
H -3.550208 0.874745 0.781750
H -0.267282 -2.147389 0.558886
H -0.531942 -2.751364 2.236473
H 0.752926 0.552859 0.975334
H -4.845732 -1.241318 1.803703
H 2.886646 1.390607 1.835450
H -4.937841 0.929740 -1.012360
H -0.768639 0.705966 -1.513563
H 1.988584 -1.949115 0.067401
H 3.220330 -0.668956 -0.030182
H 3.278749 -1.506542 2.779949
H -0.981731 0.969979 -4.020603
H -3.341580 0.836489 -5.054200
H 1.011500 0.174097 3.578441
H 3.573580 0.101391 4.906631
H 5.625726 -0.487083 2.317820
H -7.301158 -0.719466 -3.001483
H -5.903123 -0.815322 -1.902648
H 2.437893 2.958361 -1.143124
H 4.662863 4.039987 -1.842222
H 4.879892 0.659594 0.841957


