%chk=000183670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183670

0 1
P 2.101669 0.083292 -0.461638
O 1.502902 1.258388 0.561288
O 1.495856 -1.328437 0.191667
O 1.834437 0.304522 -1.900090
C 3.851484 -0.040357 0.174879
C 4.531680 1.289364 -0.119104
C 4.504896 -1.219739 -0.531715
C 0.248852 1.789514 0.241792
C 0.181767 -1.708960 -0.064870
C -0.754422 1.658380 1.226909
C -0.419090 -2.433432 0.992545
C 0.046806 2.514850 -0.936419
C -0.478842 -1.482539 -1.274824
C -1.984465 2.281059 0.990076
C -1.720068 -2.907458 0.804657
C -2.211717 3.009868 -0.189596
C -2.409353 -2.673956 -0.398002
C -1.193509 3.121195 -1.147661
C -1.781123 -1.964654 -1.430458
C -0.510340 0.873037 2.469231
C 0.328063 -2.704682 2.254720
C -3.540330 3.657751 -0.412131
C -3.801993 -3.191154 -0.563965
H 3.835489 -0.221754 1.279946
H 5.573933 1.272385 0.230920
H 4.576374 1.525285 -1.193192
H 4.045776 2.135657 0.390588
H 5.547638 -1.334756 -0.202745
H 4.542558 -1.102840 -1.625692
H 4.001804 -2.174688 -0.315199
H 0.833391 2.593900 -1.690250
H -0.000529 -0.940783 -2.100476
H -2.777589 2.195168 1.730419
H -2.204920 -3.468822 1.601309
H -1.363313 3.680924 -2.065337
H -2.303575 -1.784139 -2.368605
H 0.563215 0.815667 2.707756
H -1.018892 1.302448 3.340776
H -0.869302 -0.161947 2.347720
H 0.793925 -3.701129 2.219963
H 1.144958 -1.980999 2.405195
H -0.318748 -2.671464 3.139433
H -3.784492 4.357484 0.399587
H -3.583725 4.225494 -1.350450
H -4.344317 2.908755 -0.451313
H -4.467727 -2.805247 0.220641
H -4.245417 -2.911001 -1.528169
H -3.827076 -4.288646 -0.504713


%chk=000183670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183670

0 1
P 2.068110 0.036438 -0.517259
O 1.394280 1.282063 0.519232
O 1.442846 -1.465458 0.130658
O 1.857891 0.267084 -2.081454
C 3.820647 -0.052367 0.150735
C 4.533197 1.291181 -0.117564
C 4.544565 -1.258961 -0.486429
C 0.178607 1.982562 0.249203
C 0.135389 -1.987937 -0.105895
C -0.767937 2.048531 1.306028
C -0.402453 -2.783480 0.941269
C -0.031452 2.633864 -0.983137
C -0.561883 -1.770299 -1.312317
C -1.937582 2.810979 1.079942
C -1.680758 -3.351478 0.731755
C -2.187016 3.480199 -0.147202
C -2.420343 -3.147461 -0.462687
C -1.217589 3.376725 -1.174117
C -1.840520 -2.347939 -1.476903
C -0.523891 1.322644 2.613334
C 0.376958 -3.010879 2.220868
C -3.463216 4.280462 -0.346427
C -3.790662 -3.779060 -0.643756
H 3.692286 -0.209623 1.236602
H 5.562956 1.237642 0.279584
H 4.594884 1.498900 -1.201106
H 4.015406 2.133242 0.372392
H 5.573938 -1.312043 -0.088046
H 4.607373 -1.150249 -1.584225
H 4.032940 -2.209154 -0.258008
H 0.713854 2.545043 -1.778827
H -0.112437 -1.160659 -2.102847
H -2.679523 2.878757 1.886340
H -2.113103 -3.968862 1.530132
H -1.386172 3.880143 -2.133273
H -2.387841 -2.174079 -2.410657
H 0.430628 1.635048 3.073797
H -1.340118 1.514975 3.330182
H -0.456495 0.230192 2.451863
H 1.316707 -3.559478 2.024214
H 0.668469 -2.052909 2.689652
H -0.217640 -3.590566 2.947411
H -3.557246 5.086135 0.406084
H -3.492818 4.748804 -1.345202
H -4.359884 3.639408 -0.249337
H -4.465608 -3.529467 0.196239
H -4.271419 -3.434838 -1.575500
H -3.723723 -4.882972 -0.689938


