%chk=000245526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245526

0 1
O 3.434263 -0.850185 0.265805
O -3.334707 -0.432526 -0.185034
O 4.290184 -0.395044 2.334359
O -3.902659 0.424855 1.854777
O 0.024700 -1.124468 0.690341
N 5.181154 0.612302 0.399178
N -5.293243 0.728554 -0.023144
C 5.806638 0.269387 -0.919722
C -5.286575 1.281293 -1.416693
C 6.658492 0.429239 0.336599
C -5.625249 2.167305 -0.220655
C 5.767590 1.340088 -1.972648
C -6.360928 0.776250 -2.337119
C 4.333688 -0.255134 1.135811
C -4.137845 0.296904 0.677242
C 2.307352 -1.552151 0.864907
C -2.282833 -1.239497 0.415232
C 1.227771 -0.539777 1.246812
C -1.163764 -0.335166 0.934428
H 5.650340 -0.747350 -1.319822
H -4.311774 1.424184 -1.914243
H 7.240270 1.342806 0.507950
H 7.137264 -0.435718 0.800837
H -4.939658 2.952214 0.105402
H -6.665367 2.431619 0.005187
H 4.842148 1.277647 -2.563855
H 6.618206 1.247067 -2.660122
H 5.795312 2.352815 -1.542409
H -6.035931 -0.135573 -2.859453
H -6.617925 1.529293 -3.093114
H -7.284927 0.514112 -1.799191
H 1.976231 -2.205593 0.031288
H 2.660521 -2.152237 1.720793
H -2.719924 -1.876497 1.202090
H -1.950278 -1.853735 -0.446051
H 1.411764 0.445669 0.779826
H 1.112016 -0.424857 2.338412
H -1.264623 -0.113870 2.011998
H -1.098295 0.607274 0.362199


%chk=000245526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245526

0 1
O 3.650746 -0.726410 -0.146377
O -3.680433 -0.562346 -0.250688
O 3.745931 0.242703 2.002444
O -3.792034 0.392470 1.903874
O -0.028878 -1.113919 0.104359
N 5.393966 0.659582 0.365677
N -5.534038 0.639334 0.333541
C 6.583635 0.028019 -0.267245
C -5.915529 1.365252 -0.905419
C 6.689110 0.785238 1.071276
C -6.112704 1.991351 0.490331
C 7.089507 0.610882 -1.571915
C -7.071663 0.822371 -1.722091
C 4.239933 0.065914 0.861229
C -4.288457 0.205400 0.765425
C 2.346917 -1.340229 0.209897
C -2.415297 -1.237048 0.134775
C 1.209437 -0.337092 -0.013999
C -1.228196 -0.282523 -0.038268
H 6.623771 -1.067762 -0.192775
H -5.075342 1.769197 -1.487784
H 7.124682 1.789886 1.084009
H 6.820362 0.205961 1.993342
H -5.438472 2.797830 0.804051
H -7.118106 2.028145 0.922792
H 6.498393 0.227071 -2.422308
H 8.148211 0.336577 -1.732226
H 7.007085 1.711280 -1.565869
H -6.731494 -0.000649 -2.375404
H -7.501641 1.617138 -2.358708
H -7.864771 0.430245 -1.062614
H 2.244923 -2.196623 -0.473997
H 2.363720 -1.680025 1.259147
H -2.481644 -1.590346 1.177339
H -2.328951 -2.087677 -0.558449
H 1.291200 0.114680 -1.026306
H 1.244714 0.468323 0.747977
H -1.250983 0.512426 0.735190
H -1.258211 0.186875 -1.046040


