%chk=000243648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243648

0 1
P -0.200045 -0.403118 0.351491
O -0.685474 -0.075202 1.735987
N -0.724231 -1.989470 -0.191353
N 1.547115 -0.479869 0.304101
N -0.662996 0.736039 -0.910102
C -1.106520 -2.240442 -1.601870
C -1.474959 -2.775964 0.821407
C 2.241368 -1.283690 -0.733949
C 2.168831 -0.493081 1.658594
C 0.341933 1.756683 -1.313109
C -2.030223 1.297858 -0.702159
C -2.541314 -1.890319 -2.034347
C -2.829324 -2.218001 1.295819
C 3.163503 -0.364841 -1.563159
C 3.684014 -0.208298 1.619457
C 0.989802 2.655869 -0.241996
C -2.257277 2.221768 0.504438
C -3.631800 -2.497730 -1.144856
C -3.779907 -1.753559 0.188183
C 4.417843 0.088625 -0.808666
C 4.107793 0.781152 0.526573
C 0.093941 3.087619 0.921381
C -1.339646 3.448550 0.512123
H -0.936394 -3.329080 -1.788078
H -0.393177 -1.695223 -2.265899
H -0.812622 -2.896517 1.714357
H -1.625591 -3.801822 0.411863
H 1.523694 -1.780662 -1.424315
H 2.837043 -2.105384 -0.277897
H 2.007304 -1.461798 2.187305
H 1.664417 0.292483 2.277376
H -0.143701 2.407660 -2.077520
H 1.166557 1.210688 -1.851122
H -2.752557 0.433943 -0.637123
H -2.299686 1.846826 -1.635208
H -2.682755 -2.237645 -3.076890
H -2.662887 -0.788801 -2.076256
H -2.645843 -1.366330 1.992679
H -3.322503 -2.997004 1.908313
H 2.576904 0.528207 -1.886101
H 3.459583 -0.890370 -2.489842
H 4.237812 -1.158714 1.495662
H 3.985184 0.184049 2.610531
H 1.383898 3.555937 -0.753198
H 1.890815 2.136368 0.176302
H -2.116472 1.650489 1.453543
H -3.314740 2.545746 0.508639
H -3.427963 -3.570196 -0.964954
H -4.597019 -2.465649 -1.687768
H -3.628238 -0.660792 0.013582
H -4.822154 -1.849031 0.549537
H 4.994029 0.781647 -1.452784
H 5.082255 -0.779656 -0.633144
H 4.997881 1.344242 0.862647
H 3.296684 1.535947 0.377240
H 0.562780 3.954249 1.426626
H 0.061198 2.286417 1.694197
H -1.743824 4.193721 1.225315
H -1.346240 3.943374 -0.476401


%chk=000243648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243648

0 1
P -0.195439 -0.249953 0.599368
O -0.684097 -0.046697 2.118981
N -1.030006 -1.590012 -0.155823
N 1.548238 -0.526492 0.516505
N -0.526105 1.076616 -0.498323
C -1.129487 -1.798069 -1.615254
C -1.422334 -2.725753 0.710501
C 2.111690 -1.650734 -0.263174
C 2.327794 -0.019185 1.679780
C 0.502523 2.019065 -0.985242
C -1.935833 1.548628 -0.556802
C -2.572353 -1.887543 -2.169427
C -2.915854 -2.751218 1.116625
C 2.993077 -1.191599 -1.451303
C 3.852558 0.057497 1.416207
C 0.982210 3.135058 -0.003681
C -2.352336 2.573008 0.524992
C -3.512014 -2.885579 -1.445416
C -3.921387 -2.422702 -0.021415
C 4.348230 -0.561721 -1.051065
C 4.274711 0.564351 0.012881
C -0.030017 3.554733 1.091793
C -1.470936 3.843214 0.592387
H -0.593492 -2.739855 -1.880745
H -0.605939 -0.963854 -2.118149
H -0.814453 -2.700527 1.635103
H -1.159895 -3.659712 0.169372
H 1.276065 -2.262891 -0.647852
H 2.699472 -2.312574 0.408159
H 2.148847 -0.644007 2.581189
H 1.941696 0.986535 1.925883
H 0.064941 2.490619 -1.888286
H 1.380780 1.437142 -1.317197
H -2.594095 0.662829 -0.478761
H -2.087959 1.983420 -1.567303
H -2.491637 -2.166046 -3.241355
H -3.039768 -0.883714 -2.137480
H -3.063684 -2.032588 1.944202
H -3.126561 -3.762321 1.523321
H 2.404577 -0.469286 -2.051377
H 3.187437 -2.066563 -2.106848
H 4.314169 -0.936724 1.581844
H 4.273452 0.718753 2.199656
H 1.254383 4.021722 -0.613195
H 1.915116 2.808416 0.497489
H -2.327593 2.066970 1.509136
H -3.406825 2.858553 0.325750
H -3.046843 -3.892712 -1.407458
H -4.427782 -2.994335 -2.060252
H -4.084338 -1.327280 -0.055468
H -4.900484 -2.868375 0.244285
H 4.838571 -0.169419 -1.964957
H 5.015209 -1.358509 -0.659156
H 5.279165 1.026333 0.090081
H 3.585100 1.362758 -0.324723
H 0.376801 4.454547 1.595342
H -0.086983 2.760617 1.862903
H -1.953470 4.558992 1.287103
H -1.440714 4.346075 -0.398148


