%chk=000195506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195506

0 1
P -3.314294 1.185906 -0.383863
P -2.911765 -1.306191 1.396391
O 1.342478 2.388319 1.001344
O 1.100620 3.711080 -1.964952
O 3.192756 2.270571 -1.799372
O -1.911113 1.984681 -0.531475
O 4.007293 -0.388684 -0.531867
O -2.779062 -0.306146 0.085968
O -3.896440 1.714316 1.064405
O -4.195601 1.220009 -1.539261
O -1.960979 -2.531921 0.962250
O -1.912940 -0.446115 2.405916
O -4.244510 -1.602728 1.901628
O -2.550251 -2.671883 -2.371288
O -0.055514 -0.341928 -1.907711
N 2.408440 0.266332 0.987786
N 3.355385 -1.990895 1.019158
N 2.587724 -3.557088 2.569077
N -1.200908 -2.304808 -2.164141
C 0.843243 2.454871 -1.371743
C 2.118008 1.598206 -1.153727
C 0.263884 2.648041 0.053233
C 2.393068 1.638068 0.380743
C -0.841838 1.637742 0.393314
C 1.638368 -0.026020 2.095072
C 3.342633 -0.747817 0.415703
C 1.683876 -1.276848 2.664189
C 2.564760 -2.257568 2.090556
C -0.677664 -2.214773 0.341291
C -0.645654 -2.995105 -0.975869
C -1.027565 -0.903947 -2.382699
H 0.105976 1.970296 -2.059402
H 1.998504 0.567056 -1.560950
H -0.033985 3.700121 0.248729
H 3.339557 2.170680 0.644798
H -1.179189 1.745197 1.441894
H -0.508697 0.590970 0.191218
H 2.041202 3.991837 -1.827400
H 3.935156 1.624596 -1.947028
H 0.990098 0.770766 2.497935
H 1.068691 -1.514499 3.525274
H -4.869508 1.889774 1.144029
H 2.226163 -3.759508 3.486460
H 3.294359 -4.193842 2.217606
H -0.508697 -1.122137 0.210747
H 0.066278 -2.620481 1.060989
H -1.196916 -3.960191 -0.837093
H 0.416360 -3.244799 -1.230708
H -2.340747 0.049373 3.149351
H -1.753609 -0.447292 -3.075449
H -2.516234 -3.288194 -3.177153


%chk=000195506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195506

0 1
P -3.634852 1.849855 -0.323567
P -4.360384 -1.122078 0.495134
O 1.301932 2.117381 1.208821
O 1.579862 4.166438 -1.122760
O 3.075991 2.190263 -1.961387
O -2.030206 2.415859 -0.406257
O 4.546290 0.364587 -0.742492
O -3.452357 0.143917 -0.380722
O -4.076518 1.897983 1.393699
O -4.634765 2.605529 -1.273347
O -3.347995 -2.462229 0.231373
O -4.001346 -0.675828 2.109021
O -5.852214 -1.326794 0.045163
O -1.935498 -3.597057 -2.575894
O 0.097031 -0.991768 -1.179367
N 2.831561 0.299960 0.853275
N 4.433550 -1.504537 0.663751
N 4.303374 -3.352477 2.058631
N -1.057768 -2.960861 -1.609555
C 0.923402 2.866522 -1.069664
C 2.001440 1.749863 -1.092895
C 0.259809 2.712201 0.305757
C 2.438774 1.674920 0.405433
C -0.927264 1.739293 0.347084
C 2.173128 -0.358920 1.863037
C 3.993298 -0.284218 0.208468
C 2.605585 -1.598101 2.303771
C 3.781921 -2.141665 1.666783
C -1.941406 -2.466873 0.704949
C -1.168035 -3.421922 -0.211454
C -0.526685 -1.747933 -1.986690
H 0.191604 2.758182 -1.892532
H 1.572033 0.781236 -1.408182
H -0.013265 3.697918 0.714427
H 3.304377 2.343840 0.576499
H -1.238241 1.576374 1.395845
H -0.691004 0.782124 -0.147780
H 2.414121 4.015814 -1.655162
H 3.858078 1.587384 -1.738149
H 1.318788 0.169083 2.290266
H 2.088536 -2.110511 3.117309
H -4.539850 2.723601 1.681977
H 3.907466 -3.887062 2.826760
H 5.147339 -3.678616 1.589513
H -1.510457 -1.453627 0.664752
H -1.924154 -2.842246 1.743604
H -1.664173 -4.405370 -0.234892
H -0.149081 -3.541274 0.204711
H -4.090750 0.326804 2.227123
H -0.694694 -1.520071 -3.057098
H -1.395130 -4.337494 -2.973190


