%chk=000270424.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270424

0 1
S 0.031890 0.135269 -1.250828
O 1.698322 -1.143532 1.130643
O -1.780254 0.807209 1.268783
O 4.330627 2.187993 -0.680684
O -4.277940 -1.962879 -1.450972
N 3.299981 0.372283 0.356413
N -3.322876 -0.462399 0.055962
C 1.014129 0.945278 0.037575
C -1.018225 -0.957114 -0.258455
C 1.877429 2.037622 -0.588324
C -1.835486 -1.857704 -1.181115
C 1.980186 -0.103562 0.587781
C -2.022375 -0.067014 0.473297
C 3.323789 1.613836 -0.359526
C -3.295748 -1.491778 -0.941187
C 4.523834 -0.407154 0.685132
C -4.569485 0.222351 0.492398
C 4.905492 -1.348932 -0.450764
C -4.889016 1.417144 -0.398238
H 0.345352 1.339302 0.851182
H -0.395367 -1.542391 0.472314
H 1.689460 3.030840 -0.128402
H 1.695069 2.195616 -1.673058
H -1.667698 -2.934395 -0.966773
H -1.588672 -1.748062 -2.259040
H 5.346831 0.317658 0.889251
H 4.326384 -0.979406 1.621748
H -5.398226 -0.523754 0.462943
H -4.432276 0.545634 1.550870
H 5.119391 -0.803745 -1.379305
H 4.107277 -2.070514 -0.668674
H 5.804541 -1.923643 -0.195901
H -5.043155 1.118319 -1.443271
H -4.084212 2.163755 -0.384230
H -5.805673 1.918871 -0.064243


%chk=000270424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270424

0 1
S 0.036864 0.127355 -1.463164
O 1.759625 -1.190376 1.077043
O -1.827223 0.827048 1.225204
O 4.479213 2.230839 -0.612343
O -4.466184 -1.996398 -1.423056
N 3.366734 0.369021 0.325513
N -3.397206 -0.454244 0.013353
C 1.087435 0.926081 -0.084241
C -1.102101 -0.956678 -0.379741
C 1.981986 2.047746 -0.651965
C -1.970075 -1.884629 -1.254874
C 2.052327 -0.104578 0.513554
C -2.093092 -0.078171 0.392933
C 3.420954 1.617936 -0.343615
C -3.421309 -1.498866 -0.945329
C 4.567876 -0.377020 0.751628
C -4.614396 0.198940 0.535944
C 5.061532 -1.346684 -0.341198
C -4.998285 1.445130 -0.287145
H 0.365744 1.265928 0.677049
H -0.431081 -1.487159 0.315825
H 1.778369 3.025290 -0.183670
H 1.878222 2.186819 -1.742502
H -1.812605 -2.950935 -1.021253
H -1.792602 -1.764028 -2.338043
H 5.344803 0.370039 0.988844
H 4.298894 -0.929454 1.668444
H -5.421651 -0.552934 0.505301
H -4.411010 0.475074 1.585046
H 5.336269 -0.798713 -1.258736
H 4.284868 -2.091022 -0.586703
H 5.955549 -1.887079 0.017533
H -5.208813 1.175431 -1.336239
H -4.189204 2.194972 -0.264790
H -5.907129 1.906321 0.138693


