%chk=000234984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234984

0 1
S -3.464625 -0.921279 -0.935815
O -1.254862 1.887192 0.666704
O -1.332082 -1.366010 1.845450
O -3.560029 3.613718 -0.234060
N 0.801330 0.838963 0.260217
N 2.492184 1.645783 -1.071414
N 1.781819 -1.408312 0.799418
N 3.975681 -1.738620 -0.239361
N 5.022942 -0.116237 -1.604469
C -2.680777 -0.015370 0.418510
C -1.262982 -0.533514 0.693454
C -0.457009 0.764492 1.039034
C -2.493252 1.446004 -0.002416
C -3.580395 2.396699 0.513478
C 1.773863 -0.165349 0.208154
C 1.295434 1.921133 -0.543556
C -3.816717 -2.531251 -0.140016
C 2.824261 0.354533 -0.624728
C -4.014990 -3.528477 -1.258913
C 3.955954 -0.490629 -0.835340
C 2.909699 -2.122056 0.529251
H -3.291506 -0.109337 1.351311
H -0.816393 -1.103183 -0.153315
H -0.236292 0.878570 2.129072
H -2.311417 1.588964 -1.092031
H -3.455609 2.612990 1.590579
H -4.596886 1.997791 0.316457
H -0.464954 -1.844423 1.957376
H 0.717291 2.828920 -0.667456
H -2.976114 -2.815147 0.525947
H -4.718190 -2.439652 0.493776
H -2.729792 4.107217 -0.049699
H -4.847604 -3.255368 -1.922697
H -3.119386 -3.634658 -1.887950
H -4.242896 -4.526455 -0.857210
H 2.981428 -3.128752 0.976809
H 5.035784 0.788526 -2.051125
H 5.808889 -0.734018 -1.734424


%chk=000234984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234984

0 1
S -3.760966 -1.050023 -0.971063
O -1.254375 1.906328 0.334405
O -0.924702 -1.697541 0.953502
O -3.483566 3.692849 -0.040181
N 0.920477 0.911003 0.172922
N 2.839227 1.877140 -0.636959
N 1.739748 -1.429681 0.448177
N 4.086360 -1.668018 -0.219846
N 5.381419 0.133289 -1.028620
C -2.634738 -0.080512 0.185953
C -1.160103 -0.517272 0.159547
C -0.445479 0.753940 0.721564
C -2.573022 1.402525 -0.225807
C -3.669680 2.295802 0.352975
C 1.874548 -0.106957 0.112800
C 1.555009 2.080054 -0.282538
C -3.989547 -2.613677 0.099873
C 3.051563 0.508770 -0.388231
C -4.698353 -3.689772 -0.731996
C 4.190348 -0.334153 -0.552615
C 2.896227 -2.135214 0.251051
H -3.022042 -0.191130 1.216685
H -0.841091 -0.654924 -0.897052
H -0.381676 0.693062 1.826531
H -2.522408 1.522596 -1.325491
H -3.687168 2.185927 1.458506
H -4.647699 1.995831 -0.058123
H 0.079877 -1.884204 0.871874
H 1.021366 3.023755 -0.343884
H -2.982857 -2.922170 0.422398
H -4.585930 -2.323225 0.982284
H -2.583217 3.973307 0.266942
H -5.685420 -3.345416 -1.090320
H -4.093233 -3.978621 -1.609400
H -4.858163 -4.593269 -0.114706
H 2.862179 -3.199767 0.498281
H 5.475955 1.114680 -1.283057
H 6.162933 -0.511914 -1.127382


