%chk=000244427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244427

0 1
P 1.501374 1.987797 -0.357581
O 3.123408 2.070971 -0.668332
O 0.772791 3.205054 -0.773625
O -0.403538 -2.547553 -1.083965
O -0.102883 -1.456431 -3.049222
N 1.079658 0.539328 -1.302790
N 1.366875 1.561311 1.315728
C -0.120668 -0.216931 -0.898778
C 2.299795 0.509808 1.794818
C 3.741065 0.873500 1.396657
C -1.469596 0.538757 -0.984027
C 3.910833 0.985323 -0.118600
C -1.836255 1.150388 0.339881
C -0.195780 -1.426633 -1.847609
C -2.218503 0.321405 1.407839
C -1.795002 2.539854 0.521092
C -2.546590 0.879793 2.644989
C -2.121100 3.092597 1.762987
C -0.549303 -3.835567 -1.765641
C -2.495762 2.266165 2.826406
C -1.932982 -3.944935 -2.369744
H 0.026299 -0.611569 0.148580
H 2.039032 -0.506681 1.416309
H 2.225893 0.458428 2.906504
H 1.098724 0.687206 -2.336497
H 4.443937 0.120914 1.801472
H 4.022224 1.839732 1.872325
H 0.441498 1.558647 1.774020
H -2.282493 -0.147419 -1.306202
H -1.431504 1.310257 -1.784549
H 3.663051 0.046129 -0.651030
H 4.938006 1.300207 -0.395583
H -2.268884 -0.757232 1.269501
H -1.482939 3.199405 -0.298948
H -2.847459 0.234696 3.468690
H -2.077977 4.173543 1.897875
H -0.381058 -4.534222 -0.926031
H 0.253132 -3.923254 -2.519703
H -2.751272 2.700063 3.791004
H -2.057912 -3.243608 -3.208918
H -2.715789 -3.716820 -1.635392
H -2.122746 -4.953421 -2.756913


%chk=000244427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244427

0 1
P 1.487299 2.062606 -0.338532
O 3.173328 2.033722 -0.819118
O 0.839788 3.487238 -0.611966
O -0.626911 -2.597109 -1.028993
O 0.520177 -1.536933 -2.763797
N 0.897349 0.674691 -1.198389
N 1.506077 1.556643 1.308389
C -0.133228 -0.261400 -0.742956
C 2.492072 0.567284 1.799290
C 3.917928 0.859949 1.269283
C -1.621826 0.275780 -0.794953
C 3.966985 0.897367 -0.271046
C -2.008280 1.044701 0.459435
C -0.020357 -1.504372 -1.633048
C -2.393982 0.331167 1.626162
C -1.963837 2.460943 0.511074
C -2.725342 1.013610 2.817084
C -2.292254 3.146752 1.704025
C -0.673528 -3.867293 -1.827245
C -2.673968 2.427905 2.860163
C -1.873537 -3.867735 -2.776731
H 0.067973 -0.567237 0.300690
H 2.198233 -0.462212 1.498604
H 2.482655 0.598194 2.903193
H 1.133622 0.597178 -2.194022
H 4.607157 0.069564 1.627058
H 4.270498 1.829650 1.666162
H 0.915585 2.059415 1.969906
H -2.291637 -0.597646 -0.903762
H -1.719709 0.901181 -1.700003
H 3.587671 -0.053420 -0.700470
H 4.987469 1.084290 -0.643076
H -2.442077 -0.765225 1.595515
H -1.645108 3.029743 -0.368586
H -3.029970 0.448269 3.705437
H -2.245992 4.241056 1.725479
H -0.751339 -4.649118 -1.055438
H 0.277899 -3.964841 -2.378628
H -2.935267 2.961396 3.781177
H -1.768717 -3.083419 -3.544808
H -2.815807 -3.708788 -2.224628
H -1.937490 -4.844544 -3.290937


