%chk=000197489.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197489

0 1
P 2.247469 -1.321163 -0.736296
P 1.907639 1.241609 0.476834
O 0.768892 -0.739336 -0.251172
O 2.930915 0.071130 -0.165101
O 2.186303 -1.024467 -2.341703
O 2.761158 -2.623438 -0.353118
O 0.998639 1.565111 -0.853855
O 3.006372 2.443600 0.369403
O 1.283406 1.076633 1.785740
C -1.575115 -0.819621 0.276151
C -0.248733 -1.627389 0.367989
C -1.708026 0.302464 1.318652
C -1.790110 -0.250147 -1.142034
C -3.099305 0.947719 1.250920
C -3.542802 1.240414 -0.157233
C -0.347574 -2.911925 -0.456437
C 0.208868 -1.905487 1.790760
C -2.957778 0.683679 -1.227712
C -4.696327 2.185590 -0.281019
H -2.401177 -1.552600 0.476633
H -0.928385 1.074777 1.176336
H -1.530810 -0.084305 2.340806
H -1.917107 -1.081074 -1.865308
H -0.871769 0.295213 -1.482384
H -3.098098 1.878027 1.855367
H -3.849906 0.283950 1.729186
H 0.534994 -3.565422 -0.348740
H -1.197859 -3.524011 -0.127941
H -0.491706 -2.721230 -1.526926
H 0.526682 -0.976930 2.305231
H 1.061364 -2.597064 1.841160
H -0.590316 -2.348848 2.394939
H -3.296966 0.893753 -2.239500
H -5.534227 1.888722 0.363937
H -5.085985 2.248249 -1.305316
H -4.402883 3.203537 0.013514
H 1.880287 -0.114059 -2.622670
H 0.040895 1.182205 -0.863615
H 3.655883 2.394834 -0.384776


%chk=000197489-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197489

0 1
P 2.066106 -0.922245 -0.589240
P 1.407638 2.028168 0.088173
O 0.671542 -0.952027 0.394640
O 2.529575 0.707424 -0.101983
O 1.533891 -0.655254 -2.200589
O 3.188171 -2.015115 -0.446541
O 0.376243 1.696929 -1.260061
O 2.449652 3.267952 -0.437949
O 0.659885 2.309543 1.447430
C -1.727414 -1.291080 0.401018
C -0.366389 -2.057968 0.554715
C -1.865238 -0.195257 1.495780
C -1.912155 -0.743425 -1.057222
C -3.006357 0.810119 1.228676
C -2.916533 1.427887 -0.156388
C -0.162842 -3.168433 -0.494786
C -0.145189 -2.613118 1.974100
C -2.381121 0.697452 -1.181585
C -3.453489 2.830584 -0.337097
H -2.517092 -2.050207 0.582272
H -0.921014 0.371651 1.578046
H -2.039013 -0.677155 2.475322
H -2.638613 -1.386389 -1.595404
H -0.969303 -0.849360 -1.625603
H -2.980911 1.603586 1.999617
H -3.995851 0.313117 1.328330
H 0.828721 -3.640693 -0.371996
H -0.928637 -3.951225 -0.347398
H -0.243832 -2.800108 -1.530670
H -0.085646 -1.798625 2.712107
H 0.798084 -3.184212 2.018221
H -0.975213 -3.287781 2.255342
H -2.395528 1.112668 -2.202292
H -4.512149 2.885433 -0.015618
H -3.394341 3.169550 -1.385950
H -2.896354 3.549549 0.294653
H 1.053104 0.231783 -2.265839
H -0.617112 1.600761 -1.042805
H 3.321528 2.938220 -0.780722


