%chk=000237732.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237732

0 1
O -3.981601 -0.082159 0.351532
O 2.356150 0.243297 2.811778
O -3.648382 -0.445833 -1.856584
N 5.083249 0.415381 0.561852
N 2.363302 -0.275109 0.558757
C -5.853590 1.416449 -0.073479
C -5.429981 -0.045666 0.155378
C -5.962508 1.727762 -1.567597
C -7.177250 1.696423 0.645385
C 6.481312 -0.067287 0.328978
C 7.062070 0.649614 -0.901335
C 4.503514 -0.142234 1.815124
C -1.754309 -0.265111 -0.364042
C 0.965509 -0.253114 0.289369
C 2.976376 -0.015989 1.799779
C -3.178081 -0.279526 -0.750972
C 8.457626 0.129715 -1.229966
C -0.790214 -0.488366 -1.364197
C -1.347756 -0.035389 0.960762
C 0.562943 -0.483368 -1.048104
C 0.003762 -0.027748 1.292280
H -5.057760 2.069446 0.371171
H -5.784393 -0.457716 1.116278
H -5.706867 -0.716147 -0.676006
H -6.815410 1.221210 -2.031989
H -5.063623 1.394050 -2.109014
H -6.079303 2.800845 -1.746476
H -7.981575 1.043419 0.289214
H -7.503352 2.729312 0.474431
H -7.087785 1.559467 1.728409
H 7.145598 0.081564 1.207393
H 6.438293 -1.163636 0.141788
H 7.098683 1.743312 -0.729339
H 6.388009 0.504165 -1.770723
H 4.877190 0.342622 2.747027
H 4.755900 -1.224983 1.911760
H 5.071613 1.442317 0.613939
H 2.984956 -0.424293 -0.251465
H 9.159136 0.287736 -0.402583
H 8.450295 -0.943320 -1.455656
H 8.870873 0.641482 -2.107987
H -1.118184 -0.665484 -2.393640
H -2.104294 0.138145 1.733065
H 1.300272 -0.655969 -1.828723
H 0.315588 0.154316 2.327529


%chk=000237732-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237732

0 1
O -3.865621 -0.146468 0.158733
O 2.461414 0.575557 3.209462
O -3.251751 -0.253151 -2.098831
N 5.132945 0.697658 0.649077
N 2.512326 0.362682 0.847861
C -6.058370 1.024683 0.166364
C -5.305302 -0.267447 -0.202625
C -5.547170 2.232082 -0.650366
C -7.574875 0.796243 -0.046565
C 6.301456 -0.151079 0.291557
C 6.691585 0.036464 -1.187470
C 4.622416 0.570077 2.036122
C -1.538448 -0.005957 -0.383236
C 1.155216 0.243942 0.480678
C 3.075647 0.512352 2.103477
C -2.930499 -0.143949 -0.887090
C 7.898806 -0.837898 -1.588607
C -0.479247 -0.011520 -1.329728
C -1.232388 0.127368 0.996424
C 0.851766 0.111350 -0.905051
C 0.098155 0.252021 1.434860
H -5.879489 1.223888 1.242618
H -5.678371 -1.126352 0.382956
H -5.383128 -0.482102 -1.284455
H -5.691298 2.062237 -1.734047
H -4.471352 2.408195 -0.473828
H -6.092813 3.151861 -0.370349
H -7.796750 0.581880 -1.109661
H -8.145881 1.697672 0.240041
H -7.950488 -0.050182 0.558863
H 7.188054 0.060687 0.935140
H 6.019722 -1.207185 0.468065
H 6.931522 1.104485 -1.371388
H 5.816262 -0.205495 -1.820511
H 4.947396 1.384301 2.713835
H 4.994549 -0.372343 2.480128
H 5.300850 1.680243 0.392287
H 3.259115 0.354142 0.121201
H 8.792565 -0.588675 -0.986552
H 7.679721 -1.911540 -1.438929
H 8.158022 -0.692686 -2.652323
H -0.725996 -0.114725 -2.391328
H -2.050421 0.130366 1.721850
H 1.665748 0.104687 -1.640117
H 0.340400 0.355236 2.494560


