%chk=000194871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194871

0 1
P 4.925200 0.330304 0.665833
O 1.371215 -0.805177 1.410725
O -1.512166 -2.267881 0.663665
O 0.764830 -3.817941 0.540948
O 4.283907 -1.129476 0.289720
O -1.612764 -4.071171 -0.705361
O 4.557595 1.156567 -0.703049
O 3.819090 1.059042 1.666802
O 6.285547 0.274950 1.195664
O -4.308854 -1.281984 0.718913
N 0.029092 0.781145 0.332792
N 0.681200 2.922158 -0.197330
N -2.216216 0.784424 -0.798332
N -3.971195 -4.949531 0.755729
N -2.706403 2.919015 -1.892902
N -1.198351 4.740137 -1.913910
C -0.373429 -1.678107 -0.002524
C 0.884093 -2.583288 -0.147511
C 0.034612 -0.551261 0.985959
C 2.013903 -1.816634 0.584066
C 2.999321 -1.142150 -0.378251
C -1.016736 1.336348 -0.416876
C 1.033620 1.808376 0.444974
C -0.590640 2.669574 -0.746262
C -2.118744 -3.387294 0.155506
C -3.469255 -3.570785 0.859543
C -1.491564 3.464361 -1.516361
C -4.505326 -2.598142 0.228076
C -2.998851 1.636788 -1.520218
C 4.891623 2.567525 -0.677594
H -0.735889 -1.316346 -0.991428
H 1.101562 -2.781705 -1.219750
H -0.584857 -0.530335 1.920706
H 2.542897 -2.460040 1.332510
H 3.193554 -1.764419 -1.278267
H 2.655196 -0.136648 -0.694595
H 0.235968 -4.461432 -0.008974
H 1.951586 1.630610 1.010181
H -3.354258 -3.289208 1.947014
H -4.475101 -2.612672 -0.874323
H -5.527033 -2.857360 0.581784
H -3.983866 1.253865 -1.842544
H -3.969042 -5.283117 -0.206178
H -3.416328 -5.594006 1.312088
H -1.874657 5.289492 -2.422105
H -0.345069 5.183465 -1.608661
H 3.865529 0.868950 2.633758
H -3.455180 -0.894843 0.384985
H 4.641158 2.887156 -1.700748
H 5.960719 2.722675 -0.485452
H 4.255255 3.096427 0.045664


%chk=000194871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194871

0 1
P 4.689724 0.311323 1.460001
O 1.594278 -0.593110 0.985690
O -1.039896 -2.450773 0.750205
O 1.048921 -3.687330 -0.855468
O 4.514930 -1.316592 0.843707
O -1.768114 -3.771632 -1.020290
O 4.180983 1.268832 0.083379
O 3.410171 0.514569 2.556735
O 6.127875 0.627673 2.019990
O -3.604376 -1.050764 1.353078
N 0.036657 0.872817 -0.085941
N 0.485737 2.861972 -1.129326
N -2.453483 0.889300 -0.243528
N -3.929047 -4.753412 0.679885
N -3.287578 2.906013 -1.363542
N -1.864539 4.593575 -2.198394
C -0.251997 -1.609420 -0.185371
C 1.072478 -2.254180 -0.681946
C 0.185751 -0.392508 0.658119
C 2.112106 -1.881835 0.396982
C 3.506328 -1.642882 -0.182363
C -1.202934 1.407754 -0.446685
C 1.022276 1.791053 -0.514876
C -0.902569 2.635655 -1.092080
C -1.940742 -3.337705 0.152788
C -3.183923 -3.541863 1.004032
C -2.013844 3.396547 -1.562167
C -4.118098 -2.268160 0.785039
C -3.439348 1.712846 -0.729516
C 5.126505 2.296223 -0.425841
H -0.908743 -1.329471 -1.026052
H 1.329708 -1.744219 -1.638801
H -0.415175 -0.342390 1.583555
H 2.124516 -2.642092 1.197080
H 3.861589 -2.586674 -0.630846
H 3.475138 -0.847326 -0.950842
H 0.158530 -3.949024 -1.232184
H 2.086591 1.624146 -0.336070
H -2.906789 -3.528486 2.071386
H -4.349485 -2.183972 -0.300376
H -5.045019 -2.531985 1.320807
H -4.467181 1.369139 -0.583487
H -4.044855 -4.925627 -0.322781
H -3.652860 -5.589785 1.197821
H -2.694748 5.098910 -2.503012
H -0.933633 4.980013 -2.343811
H 2.536542 0.151742 2.186242
H -3.113212 -0.444575 0.699003
H 4.619621 2.732101 -1.300001
H 6.084758 1.836221 -0.721372
H 5.306976 3.069773 0.339545


