%chk=000194297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194297

0 1
P 7.045087 -0.602256 0.469313
O 5.509556 -0.186811 0.751078
O 7.041132 -2.213947 0.843691
O 7.074248 -0.699558 -1.181765
O 8.121541 0.184331 1.078420
C -2.803727 2.980923 0.785003
C -3.758394 3.172937 -0.409585
C -1.430879 2.533532 0.341370
C 0.130480 0.686128 -0.381075
C -5.093036 1.055566 -0.731743
C -5.276415 -0.272198 -1.425421
C 0.741174 -0.228501 0.694616
C -4.073462 1.861770 -1.063837
C -1.181846 1.241999 0.078139
C -5.096839 -1.467796 -0.475067
C 1.996715 -0.891781 0.196900
C -0.413950 3.625092 0.222918
C -6.098451 1.382656 0.327712
C -3.710377 -1.591606 0.080388
C 3.207504 -0.431236 0.543903
C 1.815001 -2.080382 -0.694576
C -3.252251 -2.692553 0.696740
C 4.494482 -1.034217 0.094340
C -4.084218 -3.926075 0.882482
C -1.864689 -2.770288 1.254686
H -3.239099 2.238435 1.485399
H -2.738852 3.925576 1.358484
H -4.684345 3.673829 -0.059006
H -3.302522 3.863547 -1.147040
H 0.849828 1.496263 -0.629223
H -0.018551 0.121349 -1.324522
H -4.569116 -0.372508 -2.274129
H -6.287021 -0.312911 -1.880240
H -0.006770 -1.000752 1.000233
H 0.935896 0.362745 1.612376
H -3.362102 1.573219 -1.838243
H -1.978540 0.491634 0.178041
H -5.818114 -1.389176 0.366418
H -5.373573 -2.395059 -1.020330
H -0.779853 4.442344 -0.412377
H 0.532048 3.270188 -0.213041
H -0.175296 4.051275 1.206452
H -6.206868 2.466141 0.474569
H -7.092426 0.983335 0.093791
H -5.789587 0.954019 1.292253
H -3.080112 -0.700529 -0.030332
H 3.336952 0.439057 1.194667
H 2.202049 -2.994355 -0.222568
H 2.345586 -1.954316 -1.648802
H 0.761143 -2.267372 -0.941237
H 4.620469 -2.078385 0.448223
H 4.634796 -0.964752 -1.004373
H -5.022340 -3.697738 1.406560
H -3.571448 -4.700971 1.464216
H -4.350655 -4.371427 -0.086103
H -1.261148 -1.867682 1.042490
H -1.887854 -2.890596 2.346359
H -1.317765 -3.627041 0.839964
H 7.806846 -2.562635 1.360635
H 7.872052 -0.346978 -1.644696


%chk=000194297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194297

0 1
P 6.813989 -0.712748 -1.235802
O 5.312657 -0.367014 -0.509504
O 8.061342 -0.313264 -0.085187
O 6.858218 -2.422561 -1.048039
O 7.023470 -0.077458 -2.669132
C -2.645101 2.967959 1.209400
C -3.786978 3.243537 0.171557
C -1.349871 2.447409 0.592753
C 0.313850 0.469740 0.360205
C -5.318629 1.277468 -0.547376
C -5.500824 0.043340 -1.429495
C 1.191068 -0.104887 1.518387
C -4.169752 2.012072 -0.622788
C -0.910689 1.188741 0.885364
C -5.490490 -1.314285 -0.652800
C 2.406211 -0.879618 1.026451
C -0.641973 3.405413 -0.350118
C -6.483457 1.594839 0.375002
C -4.140529 -1.627418 -0.037164
C 3.663620 -0.392805 1.259211
C 2.113302 -2.160400 0.269498
C -3.511835 -2.836860 0.031994
C 4.945934 -1.024363 0.822807
C -4.081393 -4.139410 -0.504192
C -2.142334 -2.967543 0.683384
H -3.020115 2.242273 1.955790
H -2.441034 3.919142 1.746340
H -4.654502 3.657293 0.717927
H -3.450209 4.039159 -0.524213
H 0.938220 1.127669 -0.270597
H -0.014051 -0.368994 -0.288795
H -4.706165 0.012556 -2.198745
H -6.471214 0.119363 -1.964186
H 0.551622 -0.771033 2.136131
H 1.508807 0.731908 2.167396
H -3.398993 1.662196 -1.327057
H -1.521787 0.593843 1.585649
H -6.270206 -1.276667 0.137709
H -5.801797 -2.116969 -1.347350
H -1.211716 3.535753 -1.291750
H 0.371189 3.068455 -0.623235
H -0.556837 4.409745 0.108889
H -6.327240 2.513532 0.963151
H -7.418311 1.717418 -0.207401
H -6.663559 0.768292 1.090188
H -3.623759 -0.756759 0.395693
H 3.760493 0.567958 1.782126
H 1.401258 -2.792543 0.834506
H 3.015420 -2.754529 0.054615
H 1.636299 -1.931545 -0.702696
H 5.772423 -0.822693 1.528039
H 4.874485 -2.108101 0.639086
H -5.043524 -4.007860 -1.025501
H -4.242234 -4.863672 0.319675
H -3.371446 -4.617139 -1.208671
H -1.779392 -1.997122 1.065548
H -2.167808 -3.684534 1.528713
H -1.394401 -3.356373 -0.037981
H 8.479851 0.570960 -0.245925
H 7.732519 -2.847367 -1.233990


