%chk=000194127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194127

0 1
P -2.433213 1.303962 1.272878
P 0.285969 2.832675 1.400692
P -1.022022 3.994052 -0.881890
O -0.786351 -1.678404 -2.115188
O -2.029430 0.061937 0.319742
O -3.984742 -2.013025 -0.529599
O -1.318609 2.467882 0.939078
O -3.661496 2.128177 0.526151
O -2.667400 0.900061 2.653712
O 0.255885 3.960041 0.233653
O 1.050510 1.595896 0.704849
O 0.586155 3.170639 2.776015
O -2.242463 4.640523 -0.013943
O -0.464756 5.332763 -1.620950
O -1.271286 2.828561 -1.728542
N 0.560245 -2.419225 -0.313993
N 1.612412 -1.223392 1.352010
N 2.599986 -3.409498 -1.395585
N 4.673014 -2.757677 -0.267951
N 4.740043 -1.287390 1.583732
C -0.500024 -2.828513 -1.259823
C -2.075950 -1.095632 -1.764037
C -2.684716 -2.160633 -0.856097
C -1.799068 -3.134926 -0.566965
C -1.848515 0.273367 -1.114980
C 1.939467 -2.636570 -0.475983
C 0.430043 -1.545801 0.812544
C 2.580520 -1.894630 0.578155
C 4.002167 -1.979504 0.652674
C 3.950268 -3.413395 -1.231347
H -0.100997 -3.607149 -1.956096
H -2.602559 -0.998626 -2.741979
H -1.915369 -4.012115 0.039157
H -0.797061 0.616244 -1.276664
H -2.553727 1.038889 -1.500445
H -0.550482 -1.224647 1.156696
H -4.289539 -2.720282 0.107554
H 4.538633 -4.015762 -1.945599
H 5.733549 -1.450677 1.659109
H 4.275436 -0.848017 2.362941
H -4.554741 2.089393 0.959943
H 1.564189 0.926583 1.273898
H -2.998348 4.024512 0.254276
H -0.132027 6.068433 -1.031503


%chk=000194127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194127

0 1
P -2.431663 1.199791 1.397465
P 0.595375 2.424592 2.163121
P 0.271396 3.252933 -0.872437
O -1.029557 -1.815636 -2.110189
O -2.548473 -0.120215 0.299401
O -4.286690 -2.501341 -0.639421
O -0.790930 1.512404 1.366253
O -2.998870 2.604194 0.496245
O -3.206413 0.927859 2.743555
O 1.103727 3.163442 0.661937
O 1.609537 1.196587 2.459796
O 0.100858 3.463524 3.242483
O -1.133343 4.142479 -0.560955
O 1.281523 4.387983 -1.624246
O 0.107380 1.903138 -1.681695
N 0.348907 -2.432574 -0.238352
N 1.136521 -0.994385 1.276550
N 2.479792 -2.867171 -1.471959
N 4.346325 -1.508203 -0.605255
N 4.061789 0.089955 1.134150
C -0.656884 -2.940654 -1.228072
C -2.423886 -1.395959 -1.808068
C -2.941114 -2.527168 -0.933031
C -1.949280 -3.399120 -0.595967
C -2.503565 0.018101 -1.191356
C 1.734053 -2.278398 -0.503204
C 0.037268 -1.636559 0.839354
C 2.209123 -1.353801 0.452749
C 3.559457 -0.903733 0.351440
C 3.783765 -2.440366 -1.431059
H -0.118867 -3.681695 -1.842143
H -2.945149 -1.364521 -2.783148
H -2.027306 -4.300775 0.012598
H -1.616358 0.605194 -1.503270
H -3.436637 0.515475 -1.508322
H -0.970882 -1.503583 1.216087
H -4.546891 -3.199813 0.011422
H 4.458023 -2.892709 -2.163478
H 5.029322 0.375715 0.986940
H 3.438444 0.643194 1.742350
H -3.899663 2.923512 0.753448
H 1.201889 -0.129685 1.945944
H -1.924927 3.612381 -0.192180
H 1.586470 5.124711 -1.035183


