%chk=000229172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229172

0 1
S 0.951330 2.589613 -0.084684
O 1.339422 2.873160 -1.436150
O 0.865853 3.667674 0.878264
O 0.397312 -3.402098 0.810704
O 0.368461 -2.278734 -1.122448
O -5.085902 -0.083574 0.697252
O -4.076321 -1.753581 -0.238225
N 2.109502 1.527985 0.675746
N 2.313143 0.391325 -0.050590
N -4.113052 -0.610880 0.186882
C 3.251271 -1.702032 -0.685613
C -0.521839 1.668466 -0.050902
C 3.228710 -0.493621 0.225876
C 2.515038 -2.893562 -0.067695
C -1.574953 2.115222 0.758106
C -0.646538 0.501846 -0.804341
C -2.865067 0.197031 0.085024
C -2.761325 1.384084 0.826360
C -1.826689 -0.253004 -0.732938
C 4.243946 -0.427478 1.322124
C 1.028496 -2.779621 -0.242357
H 2.796768 -1.451207 -1.675151
H 4.302743 -1.978386 -0.907186
H 2.850787 -3.843525 -0.542855
H 2.765179 -3.004344 1.012309
H -1.469200 3.038513 1.344292
H 0.173798 0.138205 -1.443991
H 2.803524 1.867147 1.355446
H -3.599067 1.721121 1.445589
H -1.914412 -1.189082 -1.300758
H 4.834881 -1.349198 1.407320
H 3.773076 -0.265554 2.303389
H 4.960006 0.391620 1.157164
H -0.595382 -3.389631 0.734937


%chk=000229172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229172

0 1
S 0.953343 2.669013 -0.184576
O 1.394315 2.800689 -1.740742
O 0.875255 3.957760 0.804333
O 0.791852 -3.865587 0.806357
O 0.560303 -2.441485 -1.011029
O -5.255951 0.128558 0.990573
O -4.451839 -1.487489 -0.403049
N 2.073306 1.391512 0.773350
N 2.354775 0.338655 -0.077182
N -4.334178 -0.377459 0.243451
C 3.425454 -1.717178 -0.732246
C -0.674039 1.718844 -0.072891
C 3.272774 -0.552914 0.229157
C 2.823748 -3.039381 -0.183911
C -1.661013 2.245364 0.777187
C -0.821775 0.543089 -0.829628
C -3.048098 0.365067 0.124484
C -2.885867 1.554344 0.870100
C -2.041963 -0.155842 -0.718345
C 4.119934 -0.477528 1.486056
C 1.303279 -3.044415 -0.205782
H 2.927211 -1.461165 -1.682000
H 4.500111 -1.883289 -0.937859
H 3.156702 -3.884206 -0.819433
H 3.166528 -3.263790 0.840715
H -1.470724 3.164504 1.340320
H -0.013586 0.162199 -1.457980
H 2.864683 1.946676 1.169669
H -3.701111 1.910762 1.504392
H -2.206949 -1.087793 -1.263180
H 4.720532 -1.390617 1.624145
H 3.484421 -0.333089 2.381352
H 4.824623 0.379033 1.446457
H -0.202557 -3.888943 0.748633


