%chk=000214964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214964

0 1
P 4.440746 -0.023478 -0.517330
P -2.890864 -2.157268 -1.397098
O 2.977433 0.582462 -1.095935
O 4.793203 -1.360001 -1.044291
O -1.673854 -2.244387 -0.219264
O -2.433046 -2.641017 -2.718047
O -4.571923 1.244764 2.269015
N 5.518530 1.286327 -0.946199
N 4.229974 0.109511 1.216295
N -4.154530 -3.016074 -0.565218
N -3.411844 -0.492200 -1.424099
N -0.555002 1.788909 -2.228589
C 5.842101 1.558232 -2.379510
C 5.019174 2.545826 -1.578599
C 4.893588 -0.900585 2.098241
C 5.364420 0.537794 2.092263
C -4.101463 -4.508484 -0.484108
C -3.909184 -3.667572 0.760281
C 1.866930 -0.220211 -0.839879
C -2.616732 0.391610 -2.332064
C -0.491152 -1.573824 -0.491602
C -3.843022 0.084516 -0.198681
C 1.473993 -1.149567 -1.812867
C 1.118490 0.023172 0.322850
C -1.719690 1.340185 -1.559511
C 0.275859 -1.842095 -1.635124
C -0.081595 -0.660556 0.496020
C -3.306193 1.241662 0.276697
C -2.110991 1.794746 -0.342485
C -3.899613 1.884270 1.479628
C -3.651201 3.344227 1.655253
C -3.643503 3.912487 2.859531
H 5.396939 0.984189 -3.198312
H 6.903795 1.755504 -2.576767
H 5.479124 3.464034 -1.193880
H 3.956321 2.697362 -1.798597
H 5.518300 -1.704844 1.691517
H 4.266053 -1.273625 2.917400
H 5.078237 1.215004 2.906511
H 6.343419 0.812065 1.684239
H -3.276260 -5.090948 -0.907336
H -5.063222 -5.004942 -0.672165
H -4.728953 -3.549753 1.481160
H -2.933827 -3.616143 1.260079
H -3.357622 1.004172 -2.913371
H -2.065644 -0.205448 -3.098476
H -4.665762 -0.443837 0.309907
H 2.104080 -1.337795 -2.683334
H 1.483138 0.728857 1.071805
H -0.051566 -2.580134 -2.376233
H -0.707748 -0.498657 1.374020
H -1.534095 2.518135 0.224241
H -0.143767 1.121086 -2.871319
H 0.160668 2.178320 -1.623228
H -3.493334 3.907317 0.733604
H -3.474481 4.969618 3.017764
H -3.812332 3.352384 3.775199


%chk=000214964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214964

0 1
P 5.094237 0.118987 -0.490205
P -2.508913 -2.252821 -1.195262
O 3.504416 0.745354 -0.025358
O 5.108885 -0.729647 -1.843700
O -1.330785 -2.155108 0.120020
O -2.002218 -2.754649 -2.616121
O -3.527119 1.648341 2.216445
N 6.071902 1.562337 -0.483195
N 5.630744 -0.687772 1.006675
N -3.759262 -3.237312 -0.457368
N -3.167161 -0.619006 -1.272832
N -3.310767 1.918243 -3.955393
C 5.622526 2.850929 -1.122267
C 5.788689 2.758941 0.389102
C 5.303081 -2.170197 1.145042
C 6.726172 -1.738278 0.860654
C -3.442766 -4.536105 0.247684
C -3.978532 -3.352350 1.037099
C 2.312147 -0.026685 -0.044178
C -3.611876 -0.101598 -2.594674
C -0.115744 -1.413571 0.007000
C -3.325062 0.156328 -0.123941
C 2.016298 -0.945306 -1.080151
C 1.396437 0.209861 1.005918
C -3.438113 1.411855 -2.662507
C 0.794325 -1.651939 -1.046416
C 0.165058 -0.476524 1.024596
C -3.543926 1.521734 -0.200048
C -3.489789 2.170635 -1.516556
C -3.700163 2.239944 1.091798
C -4.077408 3.690584 1.053530
C -4.143684 4.438475 2.186994
H 4.598889 2.903775 -1.511110
H 6.388578 3.339210 -1.731188
H 6.679147 3.176683 0.867836
H 4.877547 2.741184 0.996102
H 4.755171 -2.658040 0.329926
H 5.006972 -2.454706 2.158350
H 7.463524 -1.708426 1.667380
H 7.118631 -1.932269 -0.144891
H -2.389208 -4.800986 0.393633
H -4.107174 -5.360272 -0.026637
H -5.032612 -3.320312 1.327618
H -3.277436 -2.839123 1.703850
H -4.679491 -0.367150 -2.758174
H -3.017781 -0.611786 -3.376389
H -3.224070 -0.329946 0.849979
H 2.733976 -1.105578 -1.890905
H 1.651384 0.932070 1.786665
H 0.545035 -2.371407 -1.832908
H -0.569119 -0.292270 1.815030
H -3.399282 3.259547 -1.583047
H -3.192272 1.297325 -4.750855
H -3.192592 2.916393 -4.110246
H -4.329174 4.135217 0.083578
H -4.439463 5.493160 2.171231
H -3.900307 3.979331 3.152791


