%chk=000193629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193629

0 1
P 1.813185 3.667089 0.172924
P 0.080478 -2.215475 -0.101589
P 3.946576 1.536214 0.210448
P 2.862796 -2.945453 0.827792
O -1.312144 1.140106 -2.367411
O 0.433530 3.366359 -0.653556
O -2.046875 3.746650 -0.759350
O 0.066586 -0.608690 -0.281149
O 2.803097 2.489878 -0.500174
O 1.511425 2.997945 1.622217
O 2.304462 5.023945 0.022623
O 1.697683 -2.533507 -0.260363
O -0.452509 -2.821837 -1.508159
O -0.399243 -2.758834 1.181385
O 3.705233 0.184337 -0.626939
O 5.330933 2.129098 -0.403206
O 3.803857 1.586786 1.676254
O 2.166442 -2.837238 2.270756
O 2.975307 -4.552130 0.593923
O 4.089736 -2.163802 0.571794
N -2.833616 0.166300 -0.886298
N -3.239284 -2.104274 -0.966853
N -2.796605 0.427585 1.616140
N -3.256770 -1.663924 2.796430
N -3.702690 -3.702207 1.689324
C -0.215970 2.096809 -0.442595
C -1.736033 2.423868 -0.380377
C -0.004905 1.280449 -1.741941
C -2.359704 1.459941 -1.435185
C 0.609298 -0.104603 -1.545874
C -2.920005 -0.272869 0.445877
C -3.025190 -1.003683 -1.696960
C -3.193757 -1.685435 0.376586
C -3.369519 -2.374541 1.616574
C -2.976777 -0.328366 2.736838
H 0.127276 1.568676 0.480008
H -2.172076 2.337634 0.648649
H 0.583312 1.857742 -2.499588
H -3.160798 1.928920 -2.056971
H 1.718032 -0.047235 -1.422935
H 0.340478 -0.770008 -2.393183
H -1.358979 4.127390 -1.366784
H -2.987982 -0.944531 -2.778929
H 2.298599 2.625125 2.180722
H -2.885951 0.194039 3.706374
H -3.677586 -4.273219 0.860150
H -3.704772 -4.171691 2.584105
H -1.347808 -3.294510 -1.512165
H 4.024170 -0.738228 -0.190591
H 5.383978 2.252157 -1.390155
H 1.167610 -3.096351 2.365768
H 3.714965 -4.899501 0.026019


%chk=000193629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193629

0 1
P 1.801399 3.495815 0.551004
P 0.474120 -2.517619 0.150428
P 4.143835 1.479701 0.208965
P 3.522655 -3.138464 -0.071032
O -1.289007 0.945909 -2.421095
O 0.334400 3.258134 -0.335073
O -2.045401 3.636515 -1.189559
O 0.038661 -0.916836 -0.394182
O 2.902198 2.532687 -0.444097
O 1.592154 2.536405 1.928946
O 2.136822 5.027535 0.656676
O 1.960941 -2.826261 -0.784881
O -0.697400 -3.524842 -0.297564
O 0.939588 -2.479003 1.704113
O 4.091123 0.266555 -0.893729
O 5.613674 2.321269 0.030972
O 3.817458 1.217732 1.755561
O 3.272122 -3.245231 1.554576
O 3.979280 -4.682304 -0.587004
O 4.592694 -2.080613 -0.644509
N -2.905706 0.042579 -0.915851
N -2.833714 -2.148215 -0.449392
N -4.220910 0.805151 1.063355
N -4.756889 -1.030661 2.601975
N -4.060543 -3.253150 2.284570
C -0.371000 1.965729 -0.393550
C -1.885678 2.340908 -0.553717
C 0.004584 1.171608 -1.675576
C -2.409127 1.311947 -1.580373
C 0.749772 -0.149301 -1.458539
C -3.602787 -0.136513 0.306256
C -2.477928 -1.182742 -1.330866
C -3.528334 -1.524355 0.602611
C -4.109350 -1.966325 1.829469
C -4.785286 0.269178 2.190082
H -0.188510 1.384965 0.526314
H -2.428688 2.309200 0.406284
H 0.624302 1.801288 -2.338150
H -3.204329 1.740744 -2.207658
H 1.791594 0.058685 -1.156429
H 0.765760 -0.735237 -2.395707
H -1.221830 4.163579 -0.987565
H -1.880331 -1.340745 -2.219828
H 2.432848 1.954007 2.143816
H -5.317618 0.966930 2.841681
H -3.526622 -3.980555 1.813121
H -4.489849 -3.452336 3.188043
H -2.161086 -2.994152 -0.394196
H 4.380809 -0.815188 -0.748583
H 5.945803 2.403958 -0.900346
H 2.250471 -2.899615 1.849516
H 4.660354 -4.685550 -1.308886


