%chk=000249653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249653

0 1
P -0.242761 0.010229 0.144321
O 0.700569 -1.055691 0.980107
O -1.700937 -0.341809 0.832745
O 0.115114 1.385359 0.984580
O -0.144892 0.036641 -1.314116
C 4.812969 -1.030656 0.289236
C 6.300913 -1.047210 0.061451
C 2.072455 -0.988417 0.693130
C 4.239851 -0.064881 1.133905
C 3.991519 -1.972379 -0.352425
C 2.861241 -0.034004 1.346309
C 2.609438 -1.961673 -0.156549
C -2.294221 -1.532937 0.386542
C -0.590912 2.528195 0.578266
C 6.682194 -0.176076 -1.135156
C -3.644977 -3.840467 -0.341308
C -1.872312 4.902741 -0.053283
C -3.305001 -1.442358 -0.576598
C 0.057453 3.435605 -0.266551
C -1.936564 -2.740841 0.997483
C -1.859564 2.770514 1.118701
C -3.978334 -2.611126 -0.935408
C -0.597319 4.628497 -0.577190
C -2.622855 -3.895885 0.622849
C -2.494794 3.969096 0.794225
C -4.360931 -5.087779 -0.745614
C -2.558262 6.188393 -0.382630
H 6.835418 -0.696504 0.968357
H 6.655756 -2.085996 -0.100642
H 4.874674 0.669704 1.628413
H 4.432919 -2.717221 -1.013899
H 2.402669 0.708430 2.001549
H 1.960451 -2.684692 -0.647433
H 6.194655 -0.522669 -2.054730
H 7.763910 -0.187854 -1.307037
H 6.379748 0.867307 -0.984030
H -3.552405 -0.483551 -1.029357
H 1.044222 3.209385 -0.667291
H -1.142370 -2.767698 1.745384
H -2.329791 2.036221 1.774821
H -4.766749 -2.565357 -1.685638
H -0.112173 5.349623 -1.233794
H -2.361349 -4.847498 1.083847
H -3.481665 4.180257 1.204082
H -4.431105 -5.813524 0.075755
H -5.386713 -4.890385 -1.084662
H -3.835679 -5.585460 -1.575012
H -2.319477 6.959407 0.365406
H -2.258129 6.583519 -1.362517
H -3.651499 6.084275 -0.403395


%chk=000249653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249653

0 1
P -0.213805 -0.024916 0.103001
O 0.918032 -1.041731 0.920841
O -1.691845 -0.615759 0.763600
O -0.041287 1.431785 1.018688
O -0.096604 0.096429 -1.475532
C 5.138898 -0.919204 0.358593
C 6.643835 -0.885084 0.132775
C 2.330523 -0.952068 0.684191
C 4.442471 0.236857 0.797894
C 4.388714 -2.094310 0.093252
C 3.041469 0.232129 0.969198
C 2.985325 -2.119236 0.246346
C -2.373237 -1.772032 0.255239
C -0.755235 2.634053 0.690812
C 7.012156 -0.417824 -1.301652
C -3.887799 -4.011985 -0.581476
C -2.059610 5.099344 0.218796
C -2.520306 -2.024651 -1.125251
C -0.761882 3.167674 -0.614696
C -2.964857 -2.605636 1.224115
C -1.384269 3.296602 1.762842
C -3.275127 -3.149189 -1.526315
C -1.423426 4.396273 -0.836181
C -3.724777 -3.715746 0.796964
C -2.027604 4.528652 1.518453
C -4.675953 -5.230466 -1.031128
C -2.737434 6.436425 -0.027388
H 7.118998 -0.204604 0.865113
H 7.073482 -1.890182 0.305792
H 5.003932 1.152805 1.018571
H 4.906610 -3.001718 -0.240003
H 2.506420 1.118535 1.325214
H 2.400151 -3.020527 0.041163
H 6.578709 -1.094865 -2.059778
H 8.108681 -0.398877 -1.440881
H 6.621303 0.597078 -1.497379
H -2.057800 -1.363124 -1.864479
H -0.274579 2.631368 -1.434919
H -2.829929 -2.374294 2.284597
H -1.365970 2.844300 2.758607
H -3.393356 -3.352346 -2.597409
H -1.440483 4.814189 -1.849695
H -4.192829 -4.362770 1.548290
H -2.518981 5.048982 2.349254
H -5.452996 -5.504099 -0.296033
H -5.171634 -5.056592 -2.002540
H -4.014594 -6.110340 -1.153680
H -2.052761 7.277757 0.196011
H -3.055535 6.541889 -1.079150
H -3.628805 6.561844 0.612551


