%chk=000250224.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250224

0 1
O 0.928442 -0.243060 2.092244
O 0.593916 2.917799 -1.080532
O -5.971493 1.061764 -0.804485
O -5.843781 -0.526600 0.656087
N 0.316449 0.891897 0.079028
N -5.340012 0.327442 -0.059101
C 1.222730 -0.155156 0.706030
C 2.611832 0.440865 0.473912
C 2.506141 1.666859 -0.222015
C 1.051429 -1.541259 0.122045
C 1.074596 1.976956 -0.502576
C -1.100981 0.759485 0.045289
C 3.843029 -0.061680 0.849240
C 3.629910 2.405871 -0.552445
C 1.005703 -1.712284 -1.268839
C 0.970650 -2.652765 0.972173
C 4.990626 0.687950 0.516186
C 4.887057 1.896853 -0.170824
C -1.877254 1.593457 -0.790854
C -1.736473 -0.208180 0.858820
C 0.875418 -2.996054 -1.804732
C 0.840530 -3.933737 0.429308
C -3.258229 1.452795 -0.822088
C -3.116120 -0.348585 0.822055
C 0.792381 -4.106432 -0.957721
C -3.880918 0.479561 -0.020195
H 3.929086 -1.007803 1.383374
H 3.543509 3.351003 -1.091132
H 1.026538 0.627691 2.544110
H 1.067161 -0.849851 -1.932837
H 1.003762 -2.512034 2.055610
H 5.973374 0.308846 0.802513
H 5.787565 2.460029 -0.419941
H -1.400532 2.359537 -1.413883
H -1.147619 -0.844461 1.526935
H 0.835471 -3.130609 -2.885206
H 0.773690 -4.797922 1.089257
H -3.870457 2.092881 -1.468710
H -3.620005 -1.096858 1.445088
H 0.688076 -5.105908 -1.379186


%chk=000250224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250224

0 1
O 0.900083 -0.216443 2.169818
O 0.642743 2.950657 -1.160575
O -6.058691 1.204672 -0.840090
O -5.930314 -0.566230 0.594167
N 0.308148 0.895027 0.050369
N -5.387523 0.378095 -0.104996
C 1.186037 -0.131311 0.735021
C 2.585345 0.437609 0.491569
C 2.504413 1.642093 -0.230223
C 1.024319 -1.543228 0.156623
C 1.081308 1.954236 -0.527184
C -1.111979 0.783516 0.017094
C 3.824887 -0.079596 0.901857
C 3.652797 2.379622 -0.574247
C 0.820787 -1.720036 -1.233202
C 1.164130 -2.675147 0.994538
C 4.989680 0.654944 0.566383
C 4.906501 1.870201 -0.164501
C -1.899256 1.672396 -0.775730
C -1.766421 -0.232100 0.776490
C 0.746635 -3.018939 -1.778939
C 1.087212 -3.974895 0.445105
C -3.296411 1.538441 -0.813482
C -3.161617 -0.365229 0.736384
C 0.879983 -4.151367 -0.941834
C -3.920080 0.519423 -0.061499
H 3.891707 -1.022265 1.454091
H 3.561417 3.312455 -1.139358
H 1.159026 0.639778 2.597983
H 0.708362 -0.848309 -1.887595
H 1.310929 -2.529232 2.068435
H 5.971837 0.277598 0.871188
H 5.824318 2.413473 -0.412959
H -1.410714 2.461872 -1.347219
H -1.186592 -0.901275 1.411990
H 0.580213 -3.147701 -2.853866
H 1.185995 -4.847293 1.100405
H -3.909674 2.210649 -1.419182
H -3.672761 -1.138464 1.315524
H 0.818418 -5.159392 -1.366353


