%chk=000243115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243115

0 1
S 2.610112 1.538948 0.474237
O -3.860405 -0.134619 -0.579917
O 3.675110 2.410857 0.010728
O 2.053826 1.698319 1.802496
N 1.364850 1.821469 -0.680023
N 4.122325 -4.098441 -0.388860
C -4.576441 -0.548757 0.633712
C -6.039800 -0.493452 0.173596
C -4.117908 -1.953101 1.003976
C -2.571385 0.337184 -0.476450
C 0.029554 1.333053 -0.582567
C 3.049001 -0.094801 0.236265
C -6.632928 0.902893 0.322178
C -1.861413 0.530006 0.713106
C -1.999535 0.646416 -1.729905
C -0.561009 1.038936 0.656778
C -0.704780 1.140860 -1.778561
C 4.129321 -0.414954 -0.601399
C 2.346549 -1.123912 0.882319
C 4.509206 -1.733586 -0.803460
C 2.701184 -2.452824 0.700464
C 3.788678 -2.770222 -0.154492
H -4.362165 0.182409 1.441707
H -6.088643 -0.810395 -0.891401
H -6.642036 -1.229479 0.739154
H -4.638280 -2.330093 1.890230
H -4.295004 -2.659168 0.181961
H -3.040338 -1.981743 1.209239
H 1.544245 2.452709 -1.468063
H -6.036421 1.644404 -0.227420
H -6.675476 1.223186 1.368886
H -7.652726 0.944935 -0.077123
H -0.023924 1.231347 1.594008
H -0.252854 1.378651 -2.739801
H -2.307454 0.310486 1.679131
H -2.584906 0.491958 -2.634008
H 4.688024 0.390594 -1.096054
H 1.509432 -0.876413 1.546855
H 5.344925 -1.968819 -1.455348
H 2.147138 -3.240479 1.201728
H 4.973143 -4.331555 -0.870081
H 3.720308 -4.829905 0.170680


%chk=000243115-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243115

0 1
S 2.689538 1.438896 0.943697
O -3.706555 -0.394022 -0.289652
O 4.007093 2.377908 0.752653
O 1.956960 1.209610 2.381669
N 1.251920 2.319743 -0.217609
N 4.015663 -4.038081 -1.315948
C -4.668264 -0.371950 0.854089
C -6.037430 -0.699046 0.234591
C -4.230401 -1.386352 1.923648
C -2.483809 0.273252 -0.185613
C 0.034642 1.597561 -0.234815
C 3.098697 -0.254649 0.253161
C -6.536225 0.379244 -0.748526
C -2.055158 1.031363 0.939368
C -1.644478 0.168447 -1.328324
C -0.814586 1.692718 0.905285
C -0.392884 0.800162 -1.342112
C 4.181548 -0.374050 -0.639650
C 2.313437 -1.357545 0.641204
C 4.489322 -1.642252 -1.160780
C 2.622346 -2.623366 0.114395
C 3.711254 -2.785116 -0.796832
H -4.691194 0.657645 1.268909
H -5.958662 -1.676606 -0.279219
H -6.762501 -0.826511 1.062635
H -4.920799 -1.352963 2.786315
H -4.245676 -2.408441 1.505554
H -3.210988 -1.180366 2.292609
H 1.729281 2.329437 -1.142207
H -5.812930 0.516110 -1.570591
H -6.665753 1.354281 -0.241678
H -7.509534 0.095463 -1.187584
H -0.479368 2.295283 1.753845
H 0.258171 0.697470 -2.219533
H -2.679087 1.124613 1.832463
H -1.996473 -0.419646 -2.181244
H 4.785821 0.504981 -0.888205
H 1.496981 -1.225613 1.358408
H 5.338353 -1.757596 -1.844609
H 2.026296 -3.494560 0.409881
H 4.798640 -4.164433 -1.950977
H 3.477892 -4.858122 -1.050172


