%chk=000246574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246574

0 1
P -0.053034 0.606709 0.372470
O 1.079370 0.437793 -0.838194
O -0.431800 -0.964857 0.687638
O 0.394115 1.288121 1.603714
N -1.384836 1.270205 -0.515378
C -1.209490 1.424476 -1.990853
C -2.090768 2.414535 0.144435
C 2.389354 -0.028783 -0.423440
C -1.061424 -1.732066 -0.374984
C 3.188446 1.101726 0.223814
C -0.989401 -3.167354 0.148025
C 4.665021 0.714589 0.368134
C -1.678648 -4.145103 -0.809330
C -2.512971 1.061769 -2.707212
C -2.665141 2.007725 1.500805
C 5.471417 1.829701 1.029637
C -1.605787 -5.579227 -0.290904
H -0.904770 2.460991 -2.263293
H -0.392215 0.757368 -2.362345
H -1.432085 3.306713 0.261322
H -2.925529 2.725928 -0.527257
H 2.292235 -0.914346 0.231872
H 2.823063 -0.340839 -1.395000
H -2.105022 -1.380352 -0.489397
H -0.505454 -1.606014 -1.322018
H 2.763490 1.361916 1.220825
H 3.086544 2.025225 -0.379456
H -1.450245 -3.211097 1.156381
H 0.069105 -3.451870 0.308484
H 5.096768 0.481478 -0.624972
H 4.753724 -0.212995 0.968281
H -1.210977 -4.087288 -1.812085
H -2.738676 -3.853644 -0.949124
H -2.850171 0.054677 -2.432757
H -3.327113 1.747241 -2.443891
H -2.386281 1.092762 -3.794215
H -3.192752 1.046604 1.452688
H -1.884389 1.916924 2.275023
H -3.378364 2.757808 1.859094
H 5.085531 2.065406 2.029335
H 6.523605 1.546426 1.141985
H 5.438611 2.755172 0.443446
H -2.091343 -5.680057 0.687080
H -2.102193 -6.274834 -0.976845
H -0.568821 -5.915463 -0.175139


%chk=000246574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246574

0 1
P 0.031962 0.906504 0.348501
O 1.212328 0.857978 -0.931877
O -0.207068 -0.797427 0.685429
O 0.399677 1.634672 1.712297
N -1.311488 1.574864 -0.504604
C -1.421676 1.592445 -1.984926
C -2.251920 2.414426 0.290085
C 2.535342 0.232395 -0.636592
C -0.826226 -1.672475 -0.338953
C 3.471832 1.187727 0.115570
C -0.898252 -3.076590 0.266301
C 4.867912 0.556493 0.333233
C -1.560478 -4.092933 -0.694549
C -2.757605 1.029118 -2.511121
C -3.345487 1.602622 1.014918
C 5.827436 1.504562 1.084825
C -1.634477 -5.510704 -0.087543
H -1.298638 2.638518 -2.337972
H -0.574778 1.020960 -2.399000
H -1.673826 2.998339 1.030995
H -2.708250 3.135550 -0.414148
H 2.378764 -0.705637 -0.066402
H 2.932418 -0.015469 -1.637122
H -1.839587 -1.292763 -0.581969
H -0.211844 -1.664736 -1.263640
H 3.019441 1.454890 1.089302
H 3.571709 2.125060 -0.465246
H -1.467855 -3.024992 1.213727
H 0.124513 -3.411307 0.525056
H 5.310705 0.283140 -0.646878
H 4.761931 -0.387921 0.905292
H -0.993054 -4.128391 -1.647124
H -2.582776 -3.747249 -0.951002
H -2.890108 -0.026957 -2.215737
H -3.620891 1.603987 -2.130794
H -2.776912 1.085973 -3.615698
H -3.949870 1.016251 0.300518
H -2.890511 0.905571 1.741099
H -4.020966 2.280110 1.570746
H 5.425070 1.762608 2.081846
H 6.821234 1.042088 1.228180
H 5.969542 2.448676 0.526205
H -2.219396 -5.509269 0.851161
H -2.113131 -6.223031 -0.784065
H -0.624046 -5.893878 0.148077


