%chk=000256960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256960

0 1
S -0.656588 0.238175 -0.880258
O 0.908352 -2.591344 0.440476
O -3.069617 2.073129 0.599471
O -1.061217 -2.108716 1.367865
N -2.587257 0.360503 2.001891
C -2.397907 -0.031453 -0.420350
C 0.298587 -0.258366 0.594995
C -3.210235 0.301331 -1.674437
C 1.713236 0.089427 0.242609
C -4.665622 -0.133956 -1.519014
C -2.731371 0.911192 0.725377
C 2.319015 1.184887 0.881236
C 2.424406 -0.629411 -0.730184
C -0.037198 -1.698947 0.852379
C 3.625727 1.550283 0.550292
C 3.731579 -0.257620 -1.055916
C 4.334018 0.830753 -0.418046
H -2.557356 -1.102111 -0.132359
H -0.040086 0.334089 1.492759
H -2.769230 -0.191299 -2.565904
H -3.171946 1.398315 -1.868748
H -4.759543 -1.210559 -1.340215
H -5.154410 0.389360 -0.686361
H -5.240758 0.099769 -2.423625
H 1.772839 1.758060 1.629537
H 1.962733 -1.487046 -1.224684
H 4.092197 2.400285 1.046583
H 4.280463 -0.819006 -1.810851
H 5.352032 1.119045 -0.674854
H -2.868649 0.898553 2.807513
H -2.411005 -0.626606 2.156844
H 0.637710 -3.538415 0.620182


%chk=000256960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256960

0 1
S -0.685647 0.142949 -1.093079
O 0.850069 -2.658379 0.335732
O -3.245647 2.112459 0.455565
O -0.969864 -2.007352 1.594584
N -2.567395 0.438523 1.926110
C -2.504809 -0.049136 -0.483532
C 0.356740 -0.261244 0.491482
C -3.395012 0.205825 -1.716410
C 1.805017 0.082838 0.209224
C -4.874248 -0.146748 -1.438386
C -2.805061 0.942550 0.659289
C 2.419621 1.104395 0.977253
C 2.550903 -0.551404 -0.818527
C 0.016626 -1.690037 0.871732
C 3.761000 1.477236 0.737192
C 3.888636 -0.174532 -1.060717
C 4.499799 0.837555 -0.283611
H -2.606313 -1.091416 -0.132532
H -0.046950 0.387543 1.285086
H -3.018947 -0.394840 -2.566858
H -3.316144 1.273697 -1.988329
H -4.990831 -1.206666 -1.143389
H -5.284303 0.489235 -0.634675
H -5.483077 0.021525 -2.344766
H 1.846062 1.612525 1.761963
H 2.085071 -1.338707 -1.418030
H 4.223207 2.266581 1.339928
H 4.455492 -0.668532 -1.857600
H 5.538836 1.127626 -0.475346
H -2.771594 1.035649 2.727824
H -2.188816 -0.508578 2.061138
H 0.520483 -3.558842 0.605888


