%chk=000235983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235983

0 1
O 1.187077 -2.955364 0.461888
O 0.149567 -1.636081 -1.522098
N -5.125413 1.547901 -0.041395
N 4.330303 2.811575 0.286689
C 0.032678 -1.025979 -0.220310
C 0.042339 -2.161903 0.864545
C -1.308464 -0.312436 -0.200895
C 1.188059 -0.041718 -0.079008
C -1.237022 -3.009793 0.921889
C -2.193788 -0.418977 -1.281306
C 1.078525 1.230491 -0.665422
C -1.675697 0.465521 0.907019
C 2.390277 -0.375869 0.556204
C -1.466635 -3.840521 -0.335471
C 1.553197 -4.029653 1.366395
C -3.426555 0.229327 -1.259806
C 2.117430 2.153298 -0.592200
C -2.905288 1.116174 0.944031
C 3.441573 0.534977 0.642105
C -3.808442 1.002518 -0.139855
C 3.319436 1.823886 0.076493
C 2.923062 -4.468672 0.878153
C -5.851452 1.755351 -1.325604
C -5.285079 2.720273 0.864339
C 4.358924 3.941705 -0.683836
C 5.702901 2.300764 0.560576
H 0.253014 -1.723568 1.865393
H -2.108724 -2.341512 1.089556
H -1.197496 -3.672213 1.807789
H -1.902896 -1.015453 -2.152077
H 0.162587 1.502717 -1.196072
H -0.987078 0.572619 1.746069
H 2.523865 -1.375857 0.981236
H 0.894140 -2.288917 -1.506921
H -0.630419 -4.524673 -0.521482
H -2.386840 -4.426963 -0.267916
H -1.539121 -3.190839 -1.222420
H 1.574026 -3.646649 2.400678
H 0.798335 -4.830593 1.275706
H -4.093177 0.120324 -2.111346
H 1.988413 3.131271 -1.048238
H -3.167420 1.704165 1.820119
H 4.352485 0.241143 1.156098
H 2.892805 -4.727814 -0.189486
H 3.663219 -3.665153 0.982638
H 3.284397 -5.342431 1.430038
H -5.378858 2.495027 -1.990193
H -6.882894 2.081251 -1.115012
H -5.923969 0.794369 -1.865336
H -4.730352 3.613277 0.537299
H -4.945775 2.449996 1.880065
H -6.353285 2.979525 0.942900
H 5.104004 4.685493 -0.358656
H 3.378173 4.449714 -0.684811
H 4.594599 3.636268 -1.715087
H 5.679481 1.642314 1.446855
H 6.366000 3.145560 0.807260
H 6.144649 1.741506 -0.278663


%chk=000235983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235983

0 1
O 1.216956 -3.013474 0.256831
O 0.097715 -1.622484 -1.747540
N -5.028103 1.836602 0.009777
N 4.468791 2.721438 0.067899
C 0.020907 -1.033903 -0.386846
C 0.032087 -2.213957 0.647696
C -1.301601 -0.258664 -0.311545
C 1.222564 -0.079242 -0.200000
C -1.245264 -3.083986 0.731961
C -2.300302 -0.388662 -1.304290
C 1.410704 0.936677 -1.173389
C -1.568832 0.598941 0.783932
C 2.154471 -0.131269 0.862586
C -1.541036 -3.971051 -0.495978
C 1.666696 -3.989522 1.256468
C -3.524786 0.301444 -1.210105
C 2.468776 1.856877 -1.097777
C -2.790488 1.287732 0.901993
C 3.223435 0.784067 0.961078
C -3.807702 1.153287 -0.096510
C 3.409732 1.806172 -0.019270
C 2.992304 -4.571525 0.764099
C -6.035080 1.704032 -1.047256
C -5.277973 2.718438 1.153451
C 4.639316 3.747425 -0.965659
C 5.423695 2.631769 1.175606
H 0.205055 -1.783588 1.659951
H -2.101759 -2.412782 0.929053
H -1.152827 -3.730647 1.629110
H -2.098383 -1.027872 -2.168595
H 0.707436 0.993932 -2.011551
H -0.798807 0.753140 1.550113
H 2.075957 -0.905054 1.633626
H 0.847914 -2.273912 -1.702600
H -0.674031 -4.612160 -0.738575
H -2.408841 -4.625915 -0.292905
H -1.758640 -3.358882 -1.385000
H 1.795141 -3.479439 2.238086
H 0.906964 -4.789668 1.383762
H -4.260362 0.175008 -2.010106
H 2.563551 2.615947 -1.879968
H -2.944756 1.941928 1.765183
H 3.914848 0.692838 1.804180
H 2.855559 -5.072356 -0.210272
H 3.741385 -3.770970 0.638240
H 3.381672 -5.312686 1.486132
H -5.655152 2.053933 -2.030078
H -6.918771 2.310288 -0.791057
H -6.368646 0.652719 -1.170135
H -4.554506 3.559794 1.198941
H -5.218580 2.170788 2.116816
H -6.289673 3.147302 1.072214
H 5.514220 4.371423 -0.722056
H 3.755572 4.414846 -1.035293
H 4.806593 3.303444 -1.969322
H 4.927003 2.756094 2.160464
H 6.178481 3.428270 1.076066
H 5.956800 1.657775 1.187469


