%chk=000250442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250442

0 1
O 1.365897 3.176782 0.022117
N 0.126897 1.411251 0.339728
N 0.263035 2.718492 0.191781
C -0.937431 -0.674942 0.949137
C 0.352046 -0.963352 0.151375
C -1.248088 0.809662 0.559014
C 1.176660 0.336859 0.363450
C -2.091406 -1.648784 0.700084
C 1.233582 -2.151971 0.529255
C -2.078540 0.977660 -0.725438
C 2.297146 0.403953 -0.673981
C -2.825416 -1.420500 -0.625105
C 2.461401 -2.155495 -0.404611
C -3.284728 0.036823 -0.746178
C 3.214075 -0.811522 -0.439903
H -0.703306 -0.705869 2.041840
H 0.074756 -1.065455 -0.928084
H -1.747341 1.336266 1.406338
H 1.635530 0.358066 1.388234
H -2.816580 -1.564491 1.535057
H -1.706608 -2.687005 0.739824
H 0.677121 -3.101223 0.429279
H 1.551904 -2.094223 1.586098
H -1.445345 0.789768 -1.616348
H -2.406162 2.032340 -0.815383
H 2.865347 1.351224 -0.575905
H 1.894079 0.403538 -1.702535
H -3.694415 -2.101585 -0.694796
H -2.165623 -1.680617 -1.475355
H 2.136628 -2.417657 -1.430479
H 3.158940 -2.955371 -0.092559
H -3.855662 0.180970 -1.683235
H -3.982543 0.287576 0.075714
H 3.765318 -0.674290 0.511091
H 3.984832 -0.845281 -1.233321


%chk=000250442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250442

0 1
O 1.534784 3.109583 0.658580
N 0.111652 1.415173 0.327884
N 0.291973 2.742508 0.590087
C -0.941694 -0.623512 0.949482
C 0.350595 -0.930937 0.147161
C -1.261249 0.835862 0.478403
C 1.179660 0.367768 0.309517
C -2.124827 -1.606047 0.793041
C 1.229642 -2.143751 0.493728
C -2.056802 0.905148 -0.851242
C 2.305024 0.431859 -0.738436
C -2.863467 -1.483756 -0.561404
C 2.454663 -2.151516 -0.465707
C -3.293298 -0.020844 -0.819477
C 3.221886 -0.800021 -0.486586
H -0.664425 -0.580489 2.024673
H 0.079711 -1.018798 -0.926684
H -1.801017 1.405995 1.255552
H 1.662258 0.387374 1.313564
H -2.855620 -1.411468 1.604547
H -1.763209 -2.642300 0.945183
H 0.665939 -3.091387 0.390075
H 1.567572 -2.079357 1.548517
H -1.398616 0.604361 -1.689696
H -2.343705 1.956834 -1.037162
H 2.877729 1.369028 -0.643476
H 1.874481 0.394514 -1.758625
H -3.745814 -2.151880 -0.561602
H -2.208924 -1.822027 -1.389989
H 2.095773 -2.378525 -1.490919
H 3.149677 -2.966389 -0.185765
H -3.844698 0.060016 -1.775315
H -3.990185 0.305309 -0.019651
H 3.736514 -0.660063 0.486314
H 4.014018 -0.836667 -1.258372


