%chk=000116060.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116060

0 1
O -1.329369 1.264854 -2.972237
O 0.961669 -0.131416 0.145984
N -1.466512 0.040610 -1.013673
N 5.094619 0.906541 0.191697
N 0.614314 1.001606 -1.811023
C -2.927234 -0.199442 -1.123926
C -3.230995 -1.726617 -1.211355
C -4.092375 -2.097944 0.018124
C -3.636875 0.265944 0.131303
C -4.296954 -0.811207 0.766696
C -3.698633 1.548966 0.655303
C -5.023515 -0.605423 1.932753
C -4.432984 1.756869 1.835484
C -5.084965 0.694171 2.463700
C -0.809764 0.781158 -1.977006
C 3.683005 0.443023 0.357454
C 2.885633 0.930840 -0.870069
C 5.703482 1.340628 1.482362
C 5.925398 -0.104423 -0.541811
C 1.436436 0.536157 -0.756964
C 5.834031 0.265066 2.563627
C 7.174447 0.562234 -1.119813
H -3.321147 0.335656 -2.029636
H -3.763145 -1.951022 -2.150511
H -2.302728 -2.322559 -1.238287
H -5.056867 -2.543218 -0.286808
H -3.588730 -2.851560 0.651146
H -0.979402 -0.315772 -0.175931
H -3.190183 2.377697 0.166345
H -5.533918 -1.426357 2.428169
H -4.491390 2.757108 2.260103
H -5.650210 0.870576 3.377797
H 3.232059 0.876696 1.277929
H 3.581050 -0.658716 0.462366
H 2.999435 2.034569 -0.958809
H 3.334710 0.524432 -1.801220
H 5.094467 2.190746 1.864784
H 6.707092 1.763033 1.248543
H 6.215269 -0.966038 0.098790
H 5.315603 -0.519734 -1.374704
H 1.023096 1.563011 -2.570945
H 6.453491 -0.574812 2.229131
H 6.300786 0.673010 3.467179
H 4.861084 -0.143305 2.858020
H 6.916035 1.482521 -1.660756
H 7.889899 0.839987 -0.337666
H 7.687486 -0.105746 -1.819333


%chk=000116060-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116060

0 1
O -1.126941 0.171153 -3.132621
O 0.870887 0.451695 0.592156
N -1.398884 -0.065681 -0.805682
N 5.153581 0.967171 0.297379
N 0.694731 0.575209 -1.735784
C -2.806245 -0.479867 -0.859048
C -3.037327 -1.995519 -0.537844
C -4.473298 -2.063452 0.064373
C -3.694977 0.222121 0.167732
C -4.650167 -0.684623 0.691234
C -3.669310 1.568152 0.579551
C -5.595471 -0.248364 1.640653
C -4.615362 2.006261 1.538793
C -5.571850 1.103826 2.064640
C -0.688778 0.208418 -1.944985
C 3.787228 0.396415 0.306536
C 2.852355 1.147818 -0.674958
C 5.825684 0.927343 1.622432
C 5.974953 0.484705 -0.842573
C 1.402565 0.692976 -0.540005
C 6.204567 -0.479071 2.163432
C 7.255346 1.310297 -1.067901
H -3.152834 -0.257270 -1.886885
H -2.903390 -2.631725 -1.428701
H -2.297573 -2.308854 0.223050
H -5.223643 -2.218609 -0.737045
H -4.596619 -2.889512 0.787371
H -0.893010 -0.003016 0.094607
H -2.924512 2.261483 0.172086
H -6.336099 -0.943123 2.054224
H -4.606430 3.047880 1.879221
H -6.295773 1.454147 2.809374
H 3.357411 0.501175 1.318030
H 3.774196 -0.694587 0.065102
H 2.905906 2.224205 -0.421740
H 3.202992 1.043073 -1.718552
H 5.152190 1.425734 2.345453
H 6.734728 1.553944 1.566523
H 6.243095 -0.597441 -0.737601
H 5.350579 0.558527 -1.753436
H 1.175538 0.774099 -2.616889
H 6.924920 -0.992165 1.500388
H 6.673468 -0.387774 3.160866
H 5.313493 -1.124959 2.267678
H 7.007961 2.383272 -1.153373
H 7.981948 1.188036 -0.244753
H 7.754875 0.988878 -2.000204


