%chk=000216056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216056

0 1
S -3.805174 -1.489922 0.104999
P -4.681311 0.282701 -0.461860
O -5.512407 0.633341 0.917945
O -5.881440 -0.250252 -1.466628
O -3.869141 1.381913 -1.025670
N 0.006153 -0.142031 0.686180
C 2.419052 0.679732 0.436324
C 3.578959 0.182626 -0.525027
C 3.222563 -1.331444 -0.283784
C 1.167747 -0.002395 -0.239908
C 2.742386 -0.088273 1.754575
C 1.718894 -1.400655 -0.663505
C 3.298736 -1.450857 1.262951
C 2.279889 2.176287 0.608105
C 4.988246 0.567712 -0.065347
C 3.441828 0.626524 -1.984822
C -1.287644 -0.317309 -0.047649
C -2.281761 -0.903846 0.952859
H 3.850576 -2.049121 -0.819994
H 0.890699 0.583782 -1.151112
H 1.850430 -0.222652 2.383843
H 3.477304 0.458037 2.362795
H 1.575294 -1.584502 -1.736277
H 1.203337 -2.214896 -0.128313
H 4.329324 -1.621818 1.605150
H 2.696323 -2.292601 1.635812
H 1.493730 2.434196 1.325898
H 3.212868 2.620933 0.976588
H 2.039999 2.672878 -0.339522
H 5.170859 1.637934 -0.210608
H 5.167792 0.355252 0.993177
H 5.746827 0.020672 -0.635591
H 4.193959 0.135061 -2.612122
H 2.465589 0.394773 -2.421171
H 3.587113 1.708153 -2.080823
H -0.054229 0.682058 1.295020
H -1.132944 -1.021799 -0.896722
H -1.663734 0.635392 -0.491716
H -2.520079 -0.202983 1.773967
H -1.856799 -1.811766 1.437835
H -6.024829 1.482719 0.948817
H -5.904786 0.146642 -2.378468


%chk=000216056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216056

0 1
S -3.938503 -1.554887 0.506213
P -4.727154 0.502715 -0.016010
O -6.369899 0.332163 0.450841
O -5.057147 0.627678 -1.723304
O -3.860642 1.707270 0.562615
N -0.001117 -0.158703 0.688975
C 2.390156 0.671165 0.377889
C 3.544204 0.185900 -0.602295
C 3.250920 -1.334264 -0.329791
C 1.148947 -0.062079 -0.244880
C 2.749443 -0.081896 1.704619
C 1.732060 -1.461660 -0.662681
C 3.385785 -1.432622 1.218068
C 2.208562 2.185037 0.540691
C 4.959478 0.641499 -0.170001
C 3.370946 0.603001 -2.085249
C -1.252375 -0.643899 0.077379
C -2.264652 -0.953124 1.189983
H 3.891022 -2.042551 -0.884548
H 0.844594 0.503917 -1.158674
H 1.841252 -0.252329 2.306536
H 3.454306 0.512130 2.314296
H 1.559503 -1.677328 -1.732333
H 1.262512 -2.269181 -0.072614
H 4.442528 -1.522239 1.527655
H 2.849703 -2.313072 1.614988
H 1.419810 2.427903 1.279772
H 3.139605 2.660446 0.901379
H 1.926753 2.667347 -0.414878
H 5.109821 1.713464 -0.399452
H 5.154895 0.500866 0.905560
H 5.728375 0.074492 -0.728674
H 4.213866 0.210765 -2.685494
H 2.439722 0.234291 -2.545496
H 3.383191 1.705258 -2.185570
H -0.159836 0.738850 1.171424
H -1.035899 -1.565680 -0.492290
H -1.702684 0.086720 -0.641711
H -2.471533 -0.063721 1.808915
H -1.917020 -1.776965 1.834897
H -7.003426 0.824368 -0.134943
H -4.299875 0.949149 -2.275608


