%chk=000241397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241397

0 1
O -2.394814 -1.360536 -0.533931
O 2.394786 1.360764 -0.533280
N -3.639572 0.652919 -0.122997
N 3.639553 -0.652892 -0.123326
C -2.476724 1.546211 -0.437208
C 2.476696 -1.546031 -0.437963
C -1.192048 0.765835 -0.498813
C 1.192020 -0.765624 -0.499188
C -4.964416 1.354586 -0.298594
C 4.964404 -1.354476 -0.299258
C -1.212622 -0.642261 -0.523187
C 1.212595 0.642484 -0.522880
C -3.574504 -0.606129 -0.915218
C 3.574478 0.606546 -0.914934
C 0.043633 1.416488 -0.512308
C -0.043661 -1.416270 -0.512993
C -6.091367 0.415484 0.107421
C 6.091362 -0.415581 0.107222
C -5.023658 2.607127 0.587341
C 5.023649 -2.607459 0.586057
C -6.039510 -0.283441 1.322611
C -7.207411 0.274163 -0.729111
C 6.039525 0.282722 1.322772
C 7.207400 -0.273842 -0.729247
C -7.095802 -1.117857 1.695309
C -8.263733 -0.560018 -0.350370
C 7.095826 1.116943 1.695883
C 8.263730 0.560141 -0.350094
C -8.209988 -1.256712 0.860533
C 8.210002 1.256219 0.861164
H -2.609440 2.123732 -1.380217
H -2.408055 2.286009 0.397831
H 2.609404 -2.123099 -1.381250
H 2.408023 -2.286232 0.396719
H -5.106567 1.668266 -1.369124
H 5.106563 -1.667630 -1.369942
H -3.530067 -0.466326 -2.013516
H -4.385260 -1.305007 -0.615287
H 4.385228 1.305285 -0.614664
H 3.530040 0.467281 -2.013301
H 0.119889 2.501290 -0.501263
H -0.119917 -2.501078 -0.502473
H -6.053926 2.975649 0.669545
H -4.411609 3.424038 0.194258
H -4.676888 2.388390 1.607443
H 6.053919 -2.976015 0.668085
H 4.411609 -3.424180 0.192567
H 4.676873 -2.389231 1.606267
H -5.162045 -0.178781 1.965015
H -7.260355 0.813611 -1.672465
H 5.162069 0.177735 1.965135
H 7.260332 -0.812812 -1.672876
H -7.050452 -1.661284 2.637829
H -9.129724 -0.666350 -1.001160
H 7.050492 1.659887 2.638682
H 9.129715 0.666798 -1.000838
H -9.032548 -1.906040 1.153266
H 9.032569 1.905392 1.154219


%chk=000241397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241397

0 1
O -2.454296 -1.375818 -0.860846
O 2.454332 1.376228 -0.864346
N -3.641392 0.682141 -0.391004
N 3.641746 -0.681100 -0.392613
C -2.502515 1.570589 -0.727028
C 2.502650 -1.569987 -0.726698
C -1.210369 0.763526 -0.805413
C 1.210444 -0.763036 -0.805255
C -4.981995 1.334092 -0.339281
C 4.982307 -1.333131 -0.340903
C -1.239001 -0.656598 -0.833569
C 1.239055 0.657050 -0.835272
C -3.601241 -0.523686 -1.222786
C 3.601009 0.523612 -1.225999
C 0.044891 1.406235 -0.819210
C -0.044825 -1.405763 -0.817354
C -6.030158 0.381795 0.248635
C 6.030325 -0.381549 0.248440
C -4.938702 2.631796 0.508079
C 4.938469 -2.631622 0.505219
C -5.727854 -0.415240 1.381829
C -7.339224 0.341352 -0.290111
C 5.727777 0.414037 1.382591
C 7.339539 -0.340501 -0.289896
C -6.719032 -1.234663 1.964667
C -8.334709 -0.475335 0.294357
C 6.718837 1.232683 1.966719
C 8.334906 0.475410 0.295859
C -8.027244 -1.265677 1.425542
C 8.027184 1.264337 1.427961
H -2.671742 2.116368 -1.693029
H -2.393916 2.334573 0.060947
H 2.671237 -2.117036 -1.692091
H 2.394609 -2.332941 0.062358
H -5.319027 1.623173 -1.369677
H 5.319748 -1.621308 -1.371419
H -3.502203 -0.284454 -2.312393
H -4.493522 -1.139839 -1.048488
H 4.493410 1.140006 -1.053224
H 3.501139 0.282918 -2.315208
H 0.115661 2.499629 -0.807346
H -0.115585 -2.499140 -0.804009
H -5.963312 3.023388 0.627804
H -4.328793 3.420566 0.033787
H -4.532537 2.418584 1.512913
H 5.962967 -3.023480 0.625042
H 4.328653 -3.419857 0.029915
H 4.531864 -2.419282 1.510058
H -4.706445 -0.399921 1.778242
H -7.581038 0.949118 -1.171842
H 4.706283 0.398213 1.778767
H 7.581563 -0.947172 -1.172321
H -6.472030 -1.851035 2.836655
H -9.343136 -0.499206 -0.134272
H 6.471640 1.847941 2.839438
H 9.343447 0.499772 -0.132475
H -8.795760 -1.902557 1.878012
H 8.795613 1.900607 1.881438


