%chk=000212776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212776

0 1
S 2.592741 3.193240 -0.218810
O -4.311940 1.211300 -0.328890
O 5.843282 1.163716 -0.665261
O -3.914927 -1.629879 -0.680986
N -0.651457 1.157764 -0.040660
N 3.580466 0.792329 -0.625326
C 2.240762 1.369763 -0.378484
C 1.614054 0.885613 0.928686
C 1.301529 1.175251 -1.570891
C 0.214520 1.479922 1.141893
C -0.090239 1.762638 -1.294092
C -2.060099 1.606539 0.186893
C 4.393652 3.057196 -0.273258
C 4.719834 1.609616 -0.528700
C 3.741640 -0.666344 -0.870979
C -2.984277 0.631340 -0.562211
C 3.890548 -1.462021 0.405273
C -2.932351 -0.794757 -0.007646
C -5.358378 0.347808 -0.605455
C 2.922706 -2.411634 0.762086
C 5.017295 -1.274759 1.219345
C -5.168674 -1.044937 -0.760583
C 3.078558 -3.161383 1.931897
C 5.166080 -2.023481 2.388924
C -6.634382 0.907129 -0.705059
C -6.250793 -1.882516 -1.039445
C 4.197070 -2.966686 2.747986
C -7.715439 0.060633 -0.975834
C -7.525164 -1.314568 -1.148715
H 2.261646 1.120575 1.797149
H 1.540745 -0.225132 0.912298
H 1.202753 0.087919 -1.785047
H 1.723588 1.626301 -2.491630
H -0.242782 1.012045 2.042257
H 0.282529 2.571371 1.346558
H -0.041943 2.873941 -1.256794
H -0.768354 1.503549 -2.137511
H -2.312983 1.592602 1.270381
H -2.271531 2.645707 -0.150588
H 4.846642 3.404334 0.677936
H 4.811065 3.703529 -1.073039
H 4.658886 -0.809543 -1.501403
H 2.879354 -1.026135 -1.476673
H -2.826344 0.642262 -1.662467
H -1.978447 -1.303368 -0.242464
H -3.135362 -0.837947 1.075681
H 2.051054 -2.574480 0.130929
H 5.780360 -0.545998 0.928830
H 2.327068 -3.900065 2.205875
H 6.041699 -1.874975 3.019402
H -6.768002 1.978608 -0.575439
H -6.089969 -2.951024 -1.164790
H 4.316084 -3.550736 3.658530
H -8.715868 0.482874 -1.056139
H -8.377706 -1.955746 -1.366942


%chk=000212776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212776

0 1
S 2.570008 3.374731 -0.627895
O -4.289478 1.199355 -0.254021
O 6.008206 1.360190 -0.614867
O -3.893066 -1.699713 -0.336066
N -0.559017 1.191930 0.056201
N 3.703734 0.904942 -0.663612
C 2.336902 1.443540 -0.458500
C 1.770770 1.120562 0.945578
C 1.338382 0.991197 -1.544431
C 0.349191 1.685288 1.126205
C -0.061200 1.584874 -1.287258
C -1.971489 1.585540 0.279852
C 4.424043 3.216159 -0.367375
C 4.803354 1.749094 -0.556072
C 3.953921 -0.537456 -0.929278
C -2.942335 0.581390 -0.359431
C 3.857085 -1.445352 0.293113
C -2.952125 -0.781426 0.341792
C -5.347966 0.302268 -0.536478
C 2.916060 -2.502644 0.343162
C 4.740595 -1.256085 1.387614
C -5.152170 -1.106363 -0.591386
C 2.848779 -3.354502 1.470511
C 4.672974 -2.102999 2.514409
C -6.627271 0.845557 -0.771842
C -6.231699 -1.954790 -0.910617
C 3.725064 -3.153829 2.561002
C -7.709300 -0.007393 -1.078996
C -7.508978 -1.407423 -1.158851
H 2.440203 1.530931 1.722836
H 1.739223 0.021696 1.069264
H 1.244770 -0.111553 -1.513389
H 1.706439 1.290901 -2.541425
H -0.049311 1.354821 2.102685
H 0.398804 2.802818 1.139750
H -0.024091 2.698967 -1.398036
H -0.757355 1.208042 -2.057531
H -2.166650 1.616140 1.368070
H -2.206821 2.600302 -0.119617
H 4.711943 3.552640 0.642204
H 4.954245 3.825022 -1.115411
H 4.985500 -0.568625 -1.327815
H 3.268810 -0.882266 -1.722537
H -2.719099 0.430509 -1.435187
H -1.962359 -1.257453 0.282143
H -3.256977 -0.661977 1.401127
H 2.235254 -2.665724 -0.502362
H 5.486928 -0.454424 1.340419
H 2.117385 -4.170088 1.496575
H 5.363172 -1.951973 3.352070
H -6.750683 1.931944 -0.718266
H -6.052138 -3.033869 -0.949776
H 3.675333 -3.812691 3.435123
H -8.700725 0.419891 -1.261359
H -8.343976 -2.071322 -1.405418


