%chk=000186911.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186911

0 1
S 0.997745 0.473869 -2.047397
S -1.030573 3.142437 -1.689515
P -0.263760 1.611897 -0.806356
O 0.759336 1.944078 0.468802
C -1.439215 0.417917 -0.062145
C -1.086301 -0.247221 1.113542
C -2.671111 0.204593 -0.681778
C 1.450968 -0.879209 -0.994160
C 1.262020 3.316083 0.571755
C -1.988695 -1.156261 1.677055
C -3.566387 -0.709221 -0.112130
C -3.224655 -1.386750 1.062844
C 1.004728 -2.152686 -1.350523
C 2.287794 -0.672111 0.103548
C 2.269351 3.213528 1.702819
C 1.419876 -3.250467 -0.588583
C 2.692426 -1.776865 0.860376
C 2.261931 -3.062390 0.513066
H -0.123759 -0.070247 1.604793
H -2.962322 0.733929 -1.595068
H 1.732987 3.625350 -0.379999
H 0.417975 3.987261 0.823593
H -1.728763 -1.682874 2.593316
H -4.531470 -0.887707 -0.583486
H -3.925558 -2.095714 1.503540
H 0.343098 -2.296576 -2.205963
H 2.615857 0.334520 0.377507
H 1.824634 2.724514 2.581265
H 2.620985 4.205375 2.010869
H 3.143696 2.617171 1.414154
H 1.084524 -4.251936 -0.854258
H 3.346251 -1.634679 1.719415
H 2.583285 -3.920111 1.102802


%chk=000186911-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186911

0 1
S 1.102534 0.565719 -2.145389
S -1.297027 3.263640 -1.825643
P -0.455829 1.685517 -0.783247
O 0.488913 2.056523 0.642120
C -1.591938 0.423324 -0.053605
C -1.181520 -0.360195 1.051450
C -2.875750 0.263900 -0.625714
C 1.597187 -0.829877 -1.054195
C 1.484047 3.157421 0.532624
C -2.077082 -1.311574 1.588058
C -3.760943 -0.692517 -0.082388
C -3.362308 -1.481133 1.022614
C 0.979799 -2.094121 -1.222247
C 2.625829 -0.660161 -0.094698
C 2.134500 3.286179 1.907269
C 1.395303 -3.188755 -0.430613
C 3.033445 -1.757630 0.697104
C 2.420143 -3.022482 0.530490
H -0.189062 -0.216055 1.487026
H -3.178763 0.894527 -1.469413
H 2.220552 2.897121 -0.253616
H 0.958697 4.084501 0.233818
H -1.768751 -1.918424 2.446094
H -4.758471 -0.816722 -0.517035
H -4.052580 -2.220482 1.444060
H 0.185487 -2.211331 -1.966131
H 3.103059 0.318044 0.021810
H 1.379867 3.530786 2.673731
H 2.889683 4.093667 1.889099
H 2.634597 2.345722 2.196988
H 0.919432 -4.166271 -0.565060
H 3.831744 -1.626699 1.436078
H 2.742105 -3.872667 1.142259


