%chk=000242663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242663

0 1
S -2.542740 0.486936 0.059421
O -3.290899 -0.441273 2.685092
O -2.785377 -2.395359 3.469547
N 2.471705 -0.324227 -0.543417
N 0.404631 -1.318337 -0.343422
N 1.745367 2.064413 -0.562556
N -0.721769 2.269056 -0.340906
N -2.520532 -2.079956 -1.031981
N 0.655826 4.162162 -0.689411
N -2.911696 -3.401757 0.778374
N -2.979165 -1.617229 2.559976
C 4.523864 0.150799 0.821903
C 3.938813 -0.181468 -0.575774
C 4.433195 -1.063694 1.766067
C 5.970713 0.619339 0.642811
C 1.541690 0.714695 -0.492912
C 4.716339 -0.688834 3.218376
C 0.240787 0.076666 -0.366609
C 1.719745 -1.539660 -0.431209
C -0.868161 0.937093 -0.258291
C 0.573362 2.791631 -0.512981
C -2.575429 -1.235943 0.067645
C -2.821911 -2.073678 1.177022
C -2.715124 -3.396014 -0.561508
C -2.212245 -1.687496 -2.408546
H 3.927124 0.992740 1.259208
H 4.189980 0.641848 -1.289637
H 4.385548 -1.114517 -0.981851
H 3.420922 -1.511890 1.704746
H 5.136993 -1.853195 1.439787
H 6.031521 1.523457 0.026278
H 6.601723 -0.147357 0.181099
H 6.422256 0.863575 1.613367
H 4.011978 0.067395 3.586090
H 4.624755 -1.562145 3.875445
H 5.727605 -0.286742 3.347424
H 2.203041 -2.507713 -0.433132
H -2.711430 -4.270328 -1.196559
H -2.527928 -2.467593 -3.122357
H -2.727170 -0.745006 -2.680399
H -1.120093 -1.524508 -2.530172
H 1.560663 4.606055 -0.623810
H -0.151477 4.727860 -0.463735


%chk=000242663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242663

0 1
S -2.602552 0.473719 -0.745701
O -1.745017 0.196692 2.300674
O -2.488625 -1.599053 3.512427
N 2.487931 -0.146253 -0.730487
N 0.440736 -1.154159 -1.037493
N 1.744924 2.172114 -0.312817
N -0.708067 2.377233 -0.376993
N -2.567275 -2.330323 -0.970136
N 0.661448 4.243816 -0.043105
N -2.394894 -3.146602 1.145103
N -2.191426 -1.020708 2.400789
C 4.419847 0.168688 0.878146
C 3.946366 0.024380 -0.594879
C 4.113812 -1.110231 1.700445
C 5.924384 0.526274 0.875837
C 1.533011 0.856960 -0.559506
C 4.394814 -0.966135 3.212226
C 0.263556 0.212478 -0.739285
C 1.773645 -1.323307 -1.015759
C -0.857678 1.061403 -0.597500
C 0.574331 2.889096 -0.253980
C -2.452383 -1.215426 -0.134257
C -2.357062 -1.759275 1.163917
C -2.515277 -3.460167 -0.158332
C -2.534523 -2.311461 -2.438889
H 3.857485 1.015478 1.321621
H 4.231959 0.927574 -1.164604
H 4.432394 -0.850437 -1.067370
H 3.047424 -1.379987 1.566531
H 4.709607 -1.953516 1.289803
H 6.120466 1.436509 0.278686
H 6.528688 -0.299312 0.451239
H 6.289779 0.716820 1.899285
H 3.829846 -0.115833 3.637782
H 4.087377 -1.876858 3.757004
H 5.467350 -0.800459 3.419065
H 2.283262 -2.266553 -1.201543
H -2.564477 -4.470932 -0.555973
H -2.740621 -3.327644 -2.810806
H -3.293530 -1.619295 -2.835895
H -1.531883 -1.988048 -2.767311
H 1.573784 4.672083 0.085038
H -0.195935 4.780455 0.055509


