%chk=000196033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196033

0 1
P 2.667288 -0.870035 1.515184
P 0.556427 -2.587870 -0.266976
P 4.185921 0.450887 -0.817791
O -0.696700 1.233480 -1.305402
O 1.169056 3.644477 -0.275618
O 1.494604 0.268584 1.456180
O 1.209688 -1.002126 -0.364708
O -3.679920 2.622894 1.310177
O 3.907037 -0.322174 0.630154
O 3.259803 -0.629996 3.003347
O -0.292892 -2.519836 -1.677196
O 1.801807 -3.470614 -0.798766
O 2.295701 -2.292586 1.219341
O -0.337038 -2.839708 0.868379
O -5.185385 -1.676536 1.634436
O 4.055188 -0.823993 -1.821658
O 5.790255 0.588641 -0.711397
O 3.382259 1.647934 -1.045429
N -2.674218 1.051509 -0.066707
N -4.428864 0.451745 1.465832
C 0.512219 1.294853 -0.514838
C 0.424775 2.592600 0.332274
C -1.051517 3.016880 0.247957
C -1.731565 2.042451 -0.717525
C 0.559671 0.028062 0.361513
C -2.641647 -0.286782 -0.514898
C -3.603756 1.467552 0.934585
C -3.417891 -1.253262 0.033294
C -4.402447 -0.937830 1.081327
C -3.298806 -2.688173 -0.346738
H 1.322081 1.324708 -1.285282
H 0.795719 2.454645 1.372445
H -1.111624 4.059776 -0.141548
H -1.531781 3.068794 1.246147
H -2.253148 2.511473 -1.584471
H -0.411262 -0.255861 0.831902
H 2.098894 3.350104 -0.475234
H -1.934499 -0.493248 -1.338749
H -5.105422 0.738488 2.190049
H -2.755228 -3.240826 0.448491
H -2.764393 -2.841959 -1.298557
H -4.288160 -3.165998 -0.440029
H 3.231122 -1.412227 3.632032
H -1.260791 -2.812922 -1.618826
H 2.559227 -3.616674 -0.119218
H 3.147338 -1.154343 -2.088165
H 6.307476 -0.258857 -0.545323


%chk=000196033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196033

0 1
P 3.681710 -1.022441 1.394138
P 0.823079 -2.863972 -0.745009
P 4.269229 0.932027 -1.035630
O -0.627994 0.797067 -0.774133
O 0.928846 3.426903 0.368036
O 2.229098 -0.092671 1.408398
O 1.574643 -1.203844 -0.626521
O -4.050416 3.020344 -0.639452
O 4.646145 -0.298851 0.202925
O 4.410392 -0.506457 2.826066
O 0.681397 -3.029566 -2.426434
O 2.136087 -3.827141 -0.432745
O 3.541486 -2.608647 1.297308
O -0.506376 -2.890344 0.121757
O -6.575988 -0.823128 0.216173
O 3.397492 0.015400 -2.157143
O 5.772177 1.103627 -1.767168
O 3.660322 2.268760 -0.461265
N -2.910534 1.028250 -0.097214
N -5.264232 1.059129 -0.215043
C 0.676542 1.018295 -0.126628
C 0.504257 2.150467 0.931566
C -1.017037 2.197612 1.155080
C -1.618412 1.741225 -0.194426
C 1.110144 -0.334146 0.452926
C -2.971975 -0.331435 0.233316
C -4.078577 1.792936 -0.345313
C -4.150447 -1.028544 0.359011
C -5.419295 -0.317829 0.133788
C -4.199431 -2.497973 0.697810
H 1.394759 1.350130 -0.894387
H 1.065581 1.921871 1.856011
H -1.339979 3.215762 1.418806
H -1.315538 1.503568 1.961211
H -1.768321 2.591631 -0.878660
H 0.301984 -0.840145 1.009366
H 1.900367 3.372678 0.151766
H -2.007693 -0.832890 0.338895
H -6.127834 1.585122 -0.384183
H -4.710602 -2.661549 1.664374
H -3.185209 -2.929137 0.750961
H -4.785916 -3.050855 -0.058069
H 4.529441 -1.214232 3.511766
H -0.212358 -2.804995 -2.795012
H 2.787790 -3.446418 0.296692
H 2.603112 -0.504878 -1.776627
H 6.092684 0.325387 -2.293088


