%chk=000261707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261707

0 1
P 0.690239 -0.857674 -0.502210
O -0.258921 -2.202449 -0.598843
O 1.789540 -1.391970 0.613366
O 1.218480 -0.461902 -1.829097
N -1.967652 1.059033 -1.115093
N -0.160824 0.346584 0.367668
C -1.477446 2.272863 1.014038
C -1.121949 1.148653 0.012345
C -2.033518 -3.093361 0.730845
C 3.918300 -0.463391 -0.170597
C -1.579616 1.711889 2.433183
C -0.410261 3.364426 0.904647
C -0.517755 -2.924881 0.638386
C 2.865926 -0.475382 0.938299
C -2.723031 -1.913687 1.426177
C 5.177909 0.286421 0.277580
C -1.750287 0.030597 -2.162137
C -2.641350 2.274918 -1.638745
C -4.206544 -2.186385 1.663202
C 6.233398 0.312772 -0.825559
H -2.476207 2.715736 0.751114
H -2.441458 -3.215875 -0.294960
H -2.264855 -4.037347 1.261581
H 4.166175 -1.505185 -0.458494
H 3.510763 -0.008156 -1.101222
H -0.631363 1.248959 2.746887
H -1.821935 2.497962 3.154750
H -2.348612 0.934030 2.502102
H 0.583786 2.970011 1.161283
H -0.618258 4.192866 1.590257
H -0.344923 3.773430 -0.109089
H -0.085906 -2.423065 1.524333
H -0.006674 -3.897056 0.487002
H 2.466544 0.529817 1.167140
H 3.255144 -0.928504 1.872965
H -2.221356 -1.694213 2.389122
H -2.604161 -0.999109 0.809993
H 4.916529 1.323636 0.566425
H 5.600112 -0.188534 1.185065
H -1.799777 -0.985883 -1.718389
H -0.785150 0.148006 -2.700830
H -2.552458 0.069982 -2.915097
H -1.968517 2.887448 -2.261916
H -3.023725 2.901803 -0.810855
H -3.512032 1.983442 -2.250803
H -4.360736 -3.054599 2.313614
H -4.694660 -1.328696 2.139092
H -4.734735 -2.383036 0.723085
H 5.854991 0.800627 -1.732257
H 7.128982 0.856639 -0.506910
H 6.544334 -0.699310 -1.110145


%chk=000261707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261707

0 1
P 0.330974 -0.863978 -0.358768
O -0.834590 -2.110494 -0.034941
O 1.603538 -1.450084 0.662440
O 0.667921 -0.777190 -1.915978
N -1.743459 1.704182 -0.965897
N -0.132547 0.585444 0.460229
C -0.670794 2.897103 0.963301
C -0.852131 1.637489 0.088457
C -2.134036 -3.660494 1.298242
C 3.751321 -0.457429 -0.192549
C -0.644548 2.516326 2.462593
C 0.636673 3.629167 0.555940
C -1.061138 -2.570932 1.365396
C 2.749416 -0.559781 0.967869
C -3.509173 -3.154066 0.808773
C 4.959080 0.432832 0.184519
C -2.180153 0.494320 -1.703149
C -2.296821 2.974266 -1.485753
C -4.564076 -4.278997 0.743128
C 5.988835 0.546429 -0.960645
H -1.529142 3.576029 0.806877
H -1.774192 -4.468474 0.632356
H -2.236581 -4.099426 2.312972
H 4.099722 -1.473424 -0.460171
H 3.243536 -0.051095 -1.088529
H 0.166018 1.794617 2.653634
H -0.484925 3.420911 3.078123
H -1.595318 2.046926 2.773432
H 1.500392 2.958516 0.711124
H 0.778685 4.533343 1.175151
H 0.633197 3.935229 -0.507026
H -1.394374 -1.710840 1.982367
H -0.106836 -2.954550 1.767293
H 2.360748 0.438404 1.254967
H 3.215069 -1.029807 1.852451
H -3.863529 -2.348179 1.484720
H -3.380694 -2.699437 -0.191528
H 4.599194 1.446519 0.458302
H 5.454757 0.022543 1.088413
H -2.269798 -0.364861 -1.016004
H -1.464287 0.217630 -2.498647
H -3.174249 0.691895 -2.139581
H -2.344583 2.912084 -2.587187
H -1.655133 3.830007 -1.233239
H -3.319489 3.162888 -1.103787
H -4.719937 -4.739860 1.737394
H -5.540470 -3.898542 0.390459
H -4.243177 -5.079050 0.049775
H 5.524413 0.977452 -1.867049
H 6.841945 1.189564 -0.675857
H 6.389243 -0.448223 -1.232114


