%chk=000191232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191232

0 1
P -2.900969 1.123021 0.731860
O -1.661993 -1.601314 -1.652452
O -3.106837 -0.416223 1.273930
O -2.799208 1.065046 -0.900660
O -1.516010 -3.430722 1.056742
O -4.440964 1.630020 0.981346
O -1.829331 1.932177 1.320663
O 2.695992 3.134824 -0.778859
N 0.352636 -0.888386 -0.633627
N 2.174301 -2.307976 0.292789
N 4.246843 -1.089163 0.729259
N 4.485547 1.228538 0.358479
N 0.533840 3.383350 -0.142865
C -2.842441 -1.564890 0.471170
C -2.973596 -1.389378 -1.058195
C -1.393187 -2.053952 0.712719
C -0.677360 -1.942370 -0.668526
C -3.482710 -0.030846 -1.540385
C 1.648780 -1.108162 -0.127879
C 0.209077 0.496340 -0.888386
C 2.326807 0.150455 -0.096490
C 1.382974 1.144144 -0.536672
C 3.694338 0.116384 0.321904
C 1.621164 2.600178 -0.509347
C 3.469173 -2.211652 0.706492
H -3.579480 -2.304017 0.886372
H -3.592421 -2.210550 -1.500202
H -0.884027 -1.496011 1.530535
H -0.221159 -2.907626 -1.016097
H -3.210275 0.129719 -2.610838
H -4.578892 0.081716 -1.418222
H -0.691253 0.893227 -1.341222
H -0.654529 -3.767782 1.411177
H -4.599448 2.305136 1.692324
H 3.951073 -3.140873 1.054947
H 5.462231 1.148905 0.599854
H 4.162069 2.106885 -0.064669
H -0.292928 2.989232 0.302836
H 0.661474 4.378597 -0.033206


%chk=000191232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191232

0 1
P -3.272354 1.074267 0.520011
O -1.819976 -0.850119 -1.549647
O -3.139151 -0.485438 1.268402
O -4.116979 0.746490 -0.944688
O -0.910162 -3.315894 0.818212
O -4.495925 1.717136 1.523522
O -2.008365 2.030029 0.398806
O 3.206262 3.155907 -0.270249
N 0.419156 -0.582946 -0.776030
N 1.889824 -2.244938 0.274333
N 4.053207 -1.326578 0.976597
N 4.638677 0.945672 0.692889
N 0.933330 3.622332 -0.416519
C -2.742678 -1.694704 0.486732
C -3.037567 -1.523502 -1.022640
C -1.216981 -1.923724 0.559154
C -0.702182 -1.505165 -0.866139
C -4.248515 -0.666444 -1.391904
C 1.617410 -0.976065 -0.172873
C 0.427244 0.797365 -0.956985
C 2.431521 0.179207 -0.031653
C 1.649268 1.310147 -0.500524
C 3.724413 -0.050955 0.550713
C 1.997994 2.742226 -0.400173
C 3.137226 -2.323676 0.839200
H -3.294514 -2.519022 0.962414
H -3.141583 -2.527370 -1.483718
H -0.785948 -1.254544 1.328568
H -0.396157 -2.418882 -1.414278
H -4.354971 -0.589162 -2.484867
H -5.166229 -1.098894 -0.952072
H -0.434469 1.297829 -1.386314
H 0.093124 -3.380288 0.762446
H -4.252899 2.582366 1.942630
H 3.432522 -3.303476 1.226318
H 5.538026 0.724702 1.117706
H 4.390674 1.893687 0.349329
H -0.029531 3.298611 -0.295022
H 1.136558 4.619811 -0.365089


