%chk=000250821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250821

0 1
P 4.617297 -0.590268 -0.635343
O 3.813428 0.829097 -0.242568
O 4.253160 -1.168250 -1.948788
O -8.212177 -0.085721 0.044014
N 4.312878 -1.601186 0.764937
N 6.279798 -0.066444 -0.460469
C 4.226913 -3.081640 0.569254
C 5.392137 -2.474597 1.320836
C 6.618284 1.296791 0.052834
C 6.851084 0.944022 -1.401583
C 2.418447 0.744333 -0.232523
C 1.773077 0.443753 0.973566
C 1.720569 1.073637 -1.401252
C -0.348137 0.814890 -0.152228
C 0.378799 0.483005 1.003365
C 0.326363 1.108100 -1.349010
C -1.829702 0.869927 -0.106801
C -2.591370 -0.230220 -0.251530
C -2.394773 2.252460 0.105522
C -2.022134 -1.608549 -0.481009
C -4.071919 -0.178391 -0.198907
C -2.296070 2.679763 1.569533
C -2.009987 -2.427796 0.809163
C -4.817622 -0.162412 -1.386142
C -4.730748 -0.163888 1.044785
C -6.214132 -0.129400 -1.348047
C -6.120625 -0.133700 1.109411
C -6.842959 -0.116695 -0.096062
H 4.365475 -3.545078 -0.414818
H 3.409504 -3.567543 1.115834
H 6.404306 -2.486905 0.902098
H 5.423003 -2.515567 2.416425
H 7.458599 1.325460 0.756012
H 5.838325 2.014014 0.336609
H 6.255142 1.404787 -2.195671
H 7.862180 0.712063 -1.759152
H 2.355372 0.179100 1.856019
H 2.257413 1.288954 -2.323501
H -0.151975 0.253116 1.926635
H -0.242317 1.359856 -2.243547
H -3.453410 2.297309 -0.225875
H -1.851079 2.977689 -0.535341
H -2.619058 -2.134463 -1.254829
H -0.992832 -1.544747 -0.893043
H -1.254298 2.696441 1.912363
H -2.709248 3.683779 1.715854
H -2.848702 1.995112 2.222973
H -1.390671 -1.950870 1.577619
H -3.020301 -2.542137 1.220199
H -1.607106 -3.431427 0.634415
H -4.304915 -0.173951 -2.348010
H -4.143336 -0.176238 1.963303
H -6.790393 -0.115431 -2.266482
H -6.653120 -0.122879 2.057257
H -8.673838 -0.077569 -0.828502


%chk=000250821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250821

0 1
P 5.099888 -0.175377 -0.708409
O 3.910179 0.488973 0.421418
O 4.857293 0.200468 -2.242303
O -8.400833 0.049310 0.020628
N 5.107599 -1.903753 -0.266667
N 6.606300 0.369193 -0.020276
C 4.119082 -2.801380 -1.002417
C 5.594746 -2.876344 -1.334459
C 6.805844 0.640404 1.448733
C 6.823696 1.785695 0.444350
C 2.508018 0.490065 0.189211
C 1.682968 0.231537 1.305024
C 1.943153 0.795579 -1.071614
C -0.324448 0.565602 -0.099869
C 0.281652 0.278090 1.155323
C 0.538497 0.831894 -1.198971
C -1.816838 0.649174 -0.248553
C -2.655073 -0.390961 0.097272
C -2.322687 1.962824 -0.847382
C -2.147185 -1.767856 0.529068
C -4.151214 -0.270365 0.043294
C -2.068651 3.199272 0.053917
C -2.496943 -2.129377 1.996632
C -4.933674 -1.186266 -0.710490
C -4.845501 0.727128 0.785995
C -6.341836 -1.101968 -0.745780
C -6.250481 0.821531 0.769973
C -7.001076 -0.094346 -0.001320
H 3.460481 -2.342957 -1.750018
H 3.660291 -3.557911 -0.360044
H 5.914007 -2.459140 -2.297153
H 6.208423 -3.687382 -0.933249
H 7.745958 0.247234 1.846567
H 5.932601 0.558199 2.104225
H 5.964537 2.466799 0.445183
H 7.774368 2.220903 0.123541
H 2.145545 0.007898 2.271236
H 2.595265 0.995551 -1.927754
H -0.356719 0.100294 2.027361
H 0.108299 1.057999 -2.181291
H -3.397857 1.886379 -1.081549
H -1.803132 2.134129 -1.812631
H -2.607083 -2.534679 -0.128271
H -1.056827 -1.838752 0.377328
H -0.993130 3.314381 0.278468
H -2.415026 4.123019 -0.445106
H -2.606198 3.109347 1.015817
H -2.023251 -1.424472 2.704382
H -3.587926 -2.093087 2.166551
H -2.145108 -3.148273 2.242770
H -4.436573 -1.964491 -1.300511
H -4.270087 1.429276 1.398970
H -6.919310 -1.814305 -1.350047
H -6.778022 1.586140 1.347900
H -8.833403 -0.637351 -0.545200


