%chk=000200975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200975

0 1
P 0.922708 -0.113450 -0.680492
O 0.976717 -1.752623 -0.745168
O -0.287908 0.182845 0.475973
O 0.663616 0.448682 -2.016662
O -6.276428 0.163577 -1.429097
O -6.509521 0.003869 0.714573
N 8.629971 0.397636 -0.121164
N -5.827229 0.093805 -0.295593
C 3.638166 0.207319 -0.391328
C 2.334273 0.524014 0.336198
C 4.845330 0.720738 0.411741
C 6.163682 0.367435 -0.285636
C 7.370568 0.901193 0.503550
C 1.342606 -2.542018 0.413399
C -1.618061 0.151592 0.170259
C -2.160313 0.236307 -1.123231
C -2.438454 0.059579 1.318415
C 0.251029 -2.552917 1.464514
C -3.542863 0.216858 -1.268958
C -3.815420 0.045153 1.161273
C -4.368222 0.117661 -0.133337
H 3.654912 0.675113 -1.401742
H 3.757106 -0.884201 -0.561290
H 2.320116 0.105000 1.361418
H 2.221109 1.621848 0.479458
H 4.767763 1.817472 0.544865
H 4.831749 0.290816 1.432007
H 6.260160 -0.732718 -0.397613
H 6.173832 0.771803 -1.316159
H 7.340650 0.517277 1.548480
H 7.324146 2.009652 0.568843
H 2.320532 -2.213612 0.809627
H 1.462396 -3.540815 -0.063665
H 9.438762 0.765098 0.370832
H 8.703307 0.707701 -1.085289
H -1.522678 0.333474 -2.014828
H -1.976314 0.011895 2.302719
H 0.159239 -1.601030 2.005757
H -0.733433 -2.753294 1.013992
H 0.428091 -3.337736 2.211156
H -3.999071 0.280758 -2.265155
H -4.482221 -0.023954 2.029055


%chk=000200975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200975

0 1
P 1.044326 -0.319194 -0.608712
O 1.154542 -2.041853 -0.484159
O -0.239509 0.119464 0.550668
O 0.820178 0.123395 -2.115497
O -6.322616 0.395791 -1.425327
O -6.581169 0.517698 0.839120
N 8.822805 0.885004 -0.245931
N -5.848071 0.422293 -0.222890
C 3.832529 0.119208 -0.371986
C 2.483522 0.427416 0.313101
C 5.002627 0.826934 0.349982
C 6.369316 0.513584 -0.298203
C 7.541353 1.238876 0.395258
C 1.071357 -2.763252 0.822322
C -1.616329 0.175095 0.278069
C -2.162321 0.156079 -1.033019
C -2.452615 0.281434 1.418906
C -0.312807 -3.388973 0.996342
C -3.557641 0.234914 -1.191419
C -3.844718 0.365687 1.257547
C -4.383960 0.337921 -0.049821
H 3.796349 0.447735 -1.428773
H 4.010475 -0.973811 -0.384552
H 2.451560 0.048328 1.349894
H 2.285839 1.514067 0.341279
H 4.829811 1.923323 0.342923
H 5.023035 0.517940 1.416049
H 6.571263 -0.574290 -0.270129
H 6.342521 0.804614 -1.369660
H 7.589219 0.914547 1.453228
H 7.324965 2.336924 0.406513
H 1.314369 -2.081182 1.661365
H 1.856257 -3.535574 0.750349
H 9.655985 1.173247 0.275328
H 8.879529 1.150275 -1.234553
H -1.502771 0.092525 -1.903807
H -1.994100 0.302440 2.411434
H -1.093969 -2.617654 1.102916
H -0.558089 -4.020197 0.125744
H -0.326357 -4.025549 1.901372
H -4.014755 0.222915 -2.184271
H -4.517537 0.449655 2.114699


