%chk=000281218.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281218

0 1
P 4.524003 -0.763139 -0.046171
O 5.380237 0.648687 0.067095
O 4.817496 -1.172875 -1.606501
O -3.737148 -0.632596 0.550066
O 4.849485 -1.846408 0.902710
O 2.294724 1.511850 -1.490333
O 2.481332 2.084434 0.688862
C 2.749707 -0.215951 0.000695
C 0.389857 -0.981610 0.269213
C 1.844715 -1.173368 0.230480
C -0.366157 -1.685466 1.234943
C -0.267157 -0.141400 -0.641539
C -2.379397 -0.681905 0.372102
C 2.508562 1.213872 -0.149640
C 6.055903 0.899240 1.332292
C 4.716128 -0.106579 -2.602653
C -1.741990 -1.537999 1.300548
C -1.655118 0.013731 -0.604718
C -4.519495 0.215418 -0.352038
C -5.939635 0.075311 0.121804
C 5.071684 1.259752 2.426778
C 5.136982 -0.794751 -3.887489
C -6.986872 0.167179 -0.807113
C -6.220705 -0.121337 1.480663
C 2.170090 2.920416 -1.860728
C -8.310654 0.070058 -0.370608
C -7.547074 -0.225286 1.908834
C -8.592630 -0.126540 0.985645
C 3.547937 3.544104 -1.943648
H 2.157292 -2.216978 0.424763
H 0.141117 -2.344075 1.943350
H 0.313435 0.393984 -1.401292
H 6.698970 1.757511 1.048273
H 6.690065 0.030226 1.595386
H 5.401758 0.718075 -2.326470
H 3.666163 0.252326 -2.641911
H -2.342182 -2.062778 2.041394
H -2.142179 0.663848 -1.322804
H -4.372166 -0.151658 -1.383619
H -4.159733 1.257134 -0.252580
H 5.552812 1.847642 3.217089
H 4.234882 1.870509 2.040082
H 4.628242 0.378738 2.910433
H 5.104767 -0.111276 -4.741651
H 6.156766 -1.196487 -3.802849
H 4.486083 -1.652997 -4.105754
H -6.775946 0.312346 -1.864509
H -5.398926 -0.204304 2.194144
H 1.520850 3.424614 -1.121888
H 1.665587 2.841171 -2.839961
H -9.124881 0.144399 -1.089865
H -7.764604 -0.382923 2.964299
H -9.625244 -0.204487 1.321154
H 3.497584 4.590089 -2.267467
H 4.048465 3.527092 -0.962276
H 4.199113 3.005319 -2.642317


%chk=000281218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281218

0 1
P 4.189722 -0.308672 -0.860690
O 5.329748 0.825646 -0.166343
O 4.702776 -0.369386 -2.505157
O -4.073169 -0.787255 0.635219
O 4.199592 -1.693561 -0.049313
O 3.522048 2.281206 -1.945961
O 1.196958 2.284797 -1.949800
C 2.464580 0.404578 -0.999295
C 0.066718 -0.395526 -0.230904
C 1.512931 -0.424538 -0.426884
C -0.476648 -1.495086 0.517423
C -0.847085 0.593892 -0.706229
C -2.730236 -0.595252 0.313803
C 2.284485 1.712515 -1.659887
C 5.846742 0.517601 1.200299
C 6.109977 -0.764177 -2.802735
C -1.843851 -1.598069 0.790316
C -2.224285 0.497554 -0.440108
C -5.047836 0.238758 0.196988
C -6.409345 -0.136074 0.743084
C 4.950206 1.130385 2.280355
C 6.295682 -2.285488 -2.759364
C -7.566110 0.061139 -0.049354
C -6.548595 -0.641828 2.059649
C 3.523664 3.613395 -2.613494
C -8.848569 -0.228761 0.469974
C -7.828483 -0.941618 2.574758
C -8.982999 -0.731319 1.784137
C 3.445044 4.736112 -1.574520
H 1.969872 -1.334999 0.000070
H 0.201622 -2.273802 0.886447
H -0.458164 1.431261 -1.291105
H 6.852533 0.971885 1.201439
H 5.930569 -0.578188 1.324214
H 6.785459 -0.244898 -2.096203
H 6.275109 -0.360278 -3.815676
H -2.254151 -2.436187 1.360887
H -2.892012 1.271303 -0.829515
H -5.063916 0.289463 -0.909508
H -4.717470 1.223206 0.590585
H 5.409314 0.990406 3.277538
H 4.814206 2.212062 2.107536
H 3.957233 0.646618 2.291829
H 7.333655 -2.545203 -3.042894
H 6.094005 -2.677153 -1.747602
H 5.607354 -2.780777 -3.465599
H -7.468526 0.437961 -1.075207
H -5.652484 -0.815862 2.664108
H 2.674889 3.654790 -3.318801
H 4.478666 3.623608 -3.162132
H -9.736716 -0.071872 -0.152061
H -7.926475 -1.338634 3.591335
H -9.975697 -0.962440 2.186120
H 3.545996 5.716540 -2.076302
H 2.476238 4.715638 -1.047865
H 4.258135 4.638481 -0.834898


