%chk=000256918.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256918

0 1
P -2.502695 1.567484 0.346412
P 2.502584 -1.567213 0.346621
O -1.306376 2.101971 -0.682352
O -1.798262 0.322287 1.173199
O 1.306258 -2.101847 -0.682057
O 1.798163 -0.321893 1.173231
O -2.999603 2.634566 1.223113
O 2.999493 -2.634171 1.223474
N -3.616098 0.778745 -0.748309
N 3.615984 -0.778638 -0.748221
C -0.000058 0.000074 -0.506449
C -0.627222 1.077713 -1.423624
C -1.088021 -0.649449 0.379948
C 0.627100 -1.077696 -1.423474
C 1.087910 0.649726 0.379848
C -4.707786 0.010161 -0.067384
C 4.707653 -0.009927 -0.067408
C -5.811362 0.923996 0.511641
C -5.304648 -0.968341 -1.104372
C 5.811261 -0.923653 0.511730
C 5.304475 0.968453 -1.104534
C -6.926981 0.080230 1.140571
C -6.418333 -1.809526 -0.468426
C 6.926864 -0.079770 1.140532
C 6.418144 1.809754 -0.468714
C -7.513738 -0.919512 0.134735
C 7.513582 0.919852 0.134553
H 0.148367 1.661129 -1.963861
H -1.319347 0.631781 -2.166652
H -1.808179 -1.247974 -0.209979
H -0.636061 -1.293421 1.168598
H -0.148493 -1.661189 -1.963622
H 1.319222 -0.631872 -2.166569
H 1.808062 1.248170 -0.210171
H 0.635953 1.293809 1.168409
H -4.254572 -0.592641 0.767240
H 4.254430 0.592974 0.767139
H -6.230411 1.572343 -0.279936
H -5.396282 1.616329 1.273883
H -4.507845 -1.623476 -1.502678
H -5.703366 -0.411138 -1.972682
H 6.230320 -1.572096 -0.279762
H 5.396208 -1.615891 1.274071
H 4.507648 1.623513 -1.502917
H 5.703197 0.411146 -1.972775
H -3.992637 1.366135 -1.516301
H 3.992541 -1.366149 -1.516111
H -7.725352 0.744896 1.522265
H -6.535289 -0.459960 2.024698
H -5.994620 -2.466556 0.315813
H -6.855927 -2.485359 -1.227085
H 7.725258 -0.744361 1.522308
H 6.535167 0.460530 2.024590
H 5.994423 2.466878 0.315442
H 6.855711 2.485498 -1.227468
H -8.279166 -1.546260 0.629338
H -8.039804 -0.373806 -0.671877
H 8.279000 1.546687 0.629060
H 8.039651 0.374050 -0.671992


%chk=000256918-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256918

0 1
P -2.508183 1.677162 0.402838
P 2.507901 -1.676505 0.403291
O -1.308420 2.161845 -0.779253
O -1.782563 0.295418 1.175787
O 1.308139 -2.161496 -0.778674
O 1.782305 -0.294537 1.175859
O -2.842339 2.831730 1.428567
O 2.842041 -2.830789 1.429345
N -3.720162 0.948629 -0.610807
N 3.719902 -0.948284 -0.610560
C -0.000134 0.000203 -0.583406
C -0.652601 1.055488 -1.519730
C -1.085573 -0.679776 0.292426
C 0.652325 -1.055336 -1.519451
C 1.085307 0.680416 0.292240
C -4.784402 0.075433 -0.029988
C 4.784292 -0.075158 -0.029909
C -5.903060 0.871468 0.690267
C -5.367761 -0.815614 -1.150274
C 5.902924 -0.871290 0.690280
C 5.367644 0.815762 -1.150298
C -6.989176 -0.079802 1.248143
C -6.461894 -1.762144 -0.598010
C 6.989225 0.079864 1.247988
C 6.461958 1.762177 -0.598196
C -7.577326 -0.977976 0.133970
C 7.577369 0.977904 0.133705
H 0.102338 1.566807 -2.142488
H -1.398641 0.558668 -2.172962
H -1.827307 -1.189103 -0.355481
H -0.642280 -1.401361 0.994671
H -0.102621 -1.566819 -2.142067
H 1.398362 -0.558699 -2.172824
H 1.827040 1.189578 -0.355799
H 0.642008 1.402183 0.994293
H -4.284152 -0.577142 0.714611
H 4.284181 0.577513 0.714700
H -6.362823 1.575492 -0.035142
H -5.462019 1.483704 1.499585
H -4.553062 -1.393711 -1.626217
H -5.809453 -0.164062 -1.934571
H 6.362521 -1.575415 -0.035137
H 5.461885 -1.483423 1.499676
H 4.552968 1.393942 -1.626178
H 5.809166 0.164120 -1.934616
H -4.029120 1.534112 -1.396665
H 4.028767 -1.533963 -1.396311
H -7.790592 0.510616 1.731215
H -6.544963 -0.718626 2.039048
H -5.998203 -2.481291 0.108031
H -6.889653 -2.359435 -1.425884
H 7.790617 -0.510636 1.730999
H 6.545187 0.718785 2.038913
H 5.998435 2.481419 0.107860
H 6.889706 2.359373 -1.426144
H -8.318283 -1.681328 0.559813
H -8.119094 -0.343535 -0.597759
H 8.318464 1.681183 0.559429
H 8.118977 0.343356 -0.598051


