%chk=000240363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240363

0 1
S -0.384342 0.861780 1.421118
O 3.591191 -1.246366 -0.693291
O 0.810505 0.580410 2.198411
O -1.565702 1.241650 2.161318
O -1.241221 0.739539 -2.526027
O -3.086447 0.767546 -1.390995
N 1.629439 0.805624 -0.521030
N -0.194460 2.105171 0.285376
N -0.391601 -1.844845 0.850443
N -1.497008 -2.030064 -1.121326
N -1.973594 0.358226 -1.628126
C 2.914325 0.915618 0.241962
C 1.846824 0.084240 -1.815031
C 0.931484 2.108246 -0.693255
C 3.399791 -0.512401 0.532195
C 2.402187 -1.315009 -1.505832
C -0.751641 -0.554999 0.478091
C -1.422713 -0.699631 -0.745819
C -0.861517 -2.720829 -0.134562
C 0.428277 -2.196326 2.011801
H 2.712957 1.436356 1.208947
H 3.693961 1.485443 -0.304396
H 2.541044 0.625704 -2.492909
H 0.867053 -0.004837 -2.346015
H 1.586695 2.995063 -0.523923
H 0.481054 2.201127 -1.718340
H 4.407918 -0.530221 0.981415
H 2.677528 -1.055774 1.180899
H 1.657539 -1.947063 -0.993617
H 2.769075 -1.822464 -2.416851
H -0.599441 3.029292 0.470922
H -0.743099 -3.796255 -0.106824
H 0.644220 -3.276229 2.043886
H 1.404208 -1.633773 1.978828
H -0.065589 -1.908650 2.962056


%chk=000240363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240363

0 1
S -0.869394 1.019420 1.229734
O 3.806143 -1.106317 -1.334653
O 0.271437 0.885416 2.394583
O -2.320443 1.612526 1.626018
O -2.563765 -0.764845 -2.894181
O -2.584145 0.943997 -1.368982
N 1.980147 0.906766 -0.385982
N -0.167399 1.949146 -0.204766
N -0.546340 -1.842226 1.050929
N -1.483677 -2.465828 -0.932410
N -2.299655 -0.266084 -1.739386
C 3.313648 0.754287 0.239755
C 1.970736 0.496492 -1.811083
C 1.292948 2.161634 -0.102173
C 3.781877 -0.703035 0.079342
C 2.465598 -0.953146 -1.927956
C -1.044599 -0.683176 0.454423
C -1.624069 -1.099467 -0.757232
C -0.835688 -2.886009 0.170451
C 0.164757 -2.000502 2.337426
H 3.235424 1.002891 1.314681
H 4.072469 1.428762 -0.224701
H 2.627385 1.160269 -2.424257
H 0.938216 0.576182 -2.195532
H 1.614739 2.512467 0.898876
H 1.501222 2.973957 -0.842581
H 4.814748 -0.832231 0.441962
H 3.099217 -1.373741 0.647938
H 1.750243 -1.633913 -1.416863
H 2.572597 -1.256106 -2.981622
H -0.769308 2.774849 -0.365605
H -0.564884 -3.917519 0.382493
H 0.399083 -3.069597 2.460641
H 1.085651 -1.399517 2.337316
H -0.466020 -1.660501 3.172895


