%chk=000196475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196475

0 1
P 2.977142 -1.361746 -2.301058
P 4.383821 0.808756 -0.609498
O 0.087161 -1.873501 1.527852
O -1.732972 -4.470515 2.201608
O 0.289495 -5.128185 0.875719
O 2.364327 -1.975257 -0.906385
O 3.450978 0.136077 -1.757496
O 4.385175 -2.170354 -2.354350
O 2.140110 -1.311583 -3.485864
O 3.379680 0.933346 0.698423
O 5.167174 -0.538567 -0.057222
O 5.144249 1.970872 -1.024173
N -2.124090 -1.128080 1.202519
N -3.373567 0.808605 1.159577
N -2.100479 -1.598911 -1.266075
N -3.377044 0.049708 -2.549715
N -4.499021 1.876791 -1.555039
N -0.855283 4.562231 0.536190
N -2.065754 4.296698 0.369633
N -3.191351 4.293837 0.213709
C -1.564490 -3.576757 1.097910
C -0.262649 -3.942259 0.328674
C -1.289300 -2.203921 1.763244
C 0.685039 -2.735092 0.515065
C 0.919529 -1.900050 -0.746739
C -2.433159 -0.882581 -0.144905
C -2.720565 -0.045613 1.947044
C -3.221603 0.320847 -0.151213
C -3.712536 0.772808 -1.414493
C -2.605890 -1.066689 -2.420647
C 2.337676 1.859100 0.616379
C 2.571598 3.220036 0.365471
C 1.062795 1.345718 0.882222
C 1.482350 4.086162 0.340713
C -0.023022 2.220068 0.863967
C 0.185473 3.581170 0.578518
H -2.470790 -3.600434 0.456604
H -0.441124 -4.206666 -0.737780
H -1.395494 -2.227518 2.878569
H 1.664338 -3.033464 0.966445
H 0.407199 -2.299400 -1.645648
H 0.623962 -0.842275 -0.579373
H -1.822067 -5.399306 1.866231
H 0.419631 -5.034602 1.855662
H -2.628645 0.012822 3.024162
H -2.361544 -1.599150 -3.358784
H -4.741407 2.446246 -0.752312
H -4.809096 2.178521 -2.467957
H 4.965317 -2.156570 -1.529439
H 4.941002 -0.841418 0.866268
H 3.581226 3.603197 0.183831
H 0.931299 0.281330 1.108685
H 1.624536 5.150888 0.138540
H -1.021741 1.839328 1.072431


%chk=000196475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196475

0 1
P 4.045983 -2.049200 -1.563378
P 4.672727 0.994748 -0.712510
O 0.027534 -1.879956 0.821688
O -1.359910 -4.651925 1.954970
O -0.458461 -5.306430 -0.469557
O 2.724399 -2.269118 -0.490085
O 4.112832 -0.260016 -1.703950
O 5.379924 -2.392463 -0.595783
O 3.931833 -2.732921 -2.977239
O 3.501898 1.274252 0.538573
O 5.769024 0.043614 0.255003
O 5.266849 2.267283 -1.431401
N -2.218012 -1.158048 1.189301
N -3.130675 0.942366 1.386116
N -3.148149 -1.786626 -1.039685
N -4.565471 -0.010777 -1.980511
N -4.925072 2.059969 -0.909959
N -0.874657 4.845855 0.219772
N -2.080624 4.506307 0.372193
N -3.257527 4.398105 0.482235
C -1.678052 -3.632208 0.938201
C -0.713958 -3.900789 -0.252244
C -1.265327 -2.228843 1.465778
C 0.556519 -3.100428 0.151256
C 1.405530 -2.703968 -1.039128
C -2.964315 -0.942209 0.016518
C -2.353236 0.012316 1.960972
C -3.525605 0.354511 0.165497
C -4.348685 0.824149 -0.903964
C -3.970924 -1.238266 -1.988285
C 2.396777 2.174154 0.387161
C 2.606594 3.544074 0.112609
C 1.108558 1.642877 0.605608
C 1.494510 4.405028 0.061360
C -0.000914 2.511691 0.567760
C 0.194398 3.891489 0.291927
H -2.733490 -3.674497 0.625458
H -1.163099 -3.498920 -1.174123
H -1.118472 -2.273665 2.561194
H 1.161491 -3.687555 0.870527
H 1.551760 -3.574938 -1.704419
H 0.938970 -1.870877 -1.594924
H -2.182876 -4.973957 2.394024
H -0.434433 -5.730332 0.433056
H -1.852816 0.122391 2.921598
H -4.174815 -1.860274 -2.864837
H -4.709305 2.744073 -0.183082
H -5.484302 2.327790 -1.718542
H 5.748250 -1.578268 -0.104005
H 6.213811 0.496823 1.011064
H 3.615503 3.925304 -0.069782
H 0.984698 0.571385 0.799080
H 1.618086 5.469739 -0.155193
H -1.007680 2.121880 0.751780


