%chk=000205853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205853

0 1
S 1.586539 -0.478658 -1.763798
P 1.445584 -0.089205 0.083727
O 0.124711 0.929002 0.481239
O 1.416161 -1.233559 1.234944
O 2.572284 0.884589 0.758367
O -2.498969 -1.251977 -0.291044
N -1.147342 -0.973654 -0.109636
C -2.366917 0.960613 0.276965
C -1.058384 0.332926 0.224226
C -3.225095 -0.065785 -0.052069
C -2.647099 2.368607 0.602261
C 1.365422 -2.638506 0.813238
C 2.910883 2.103083 0.009870
C -4.675201 -0.205287 -0.208308
C 2.756290 -3.129844 0.471065
C 3.970907 2.741527 0.886024
H -1.802632 2.826478 1.143428
H -2.808324 2.965352 -0.309309
H -3.539698 2.474804 1.234812
H 0.972948 -3.091467 1.748354
H 0.630618 -2.787822 -0.002855
H 3.303578 1.828210 -0.988770
H 2.005616 2.733316 -0.078866
H -4.963863 -1.236537 -0.475771
H -5.207732 0.054262 0.722090
H -5.058793 0.457324 -1.002997
H 2.821833 -4.221342 0.563373
H 3.056099 -2.879158 -0.557009
H 3.510908 -2.700022 1.145643
H 4.315777 3.694527 0.470221
H 3.586803 2.925944 1.899904
H 4.841688 2.080564 1.000981


%chk=000205853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205853

0 1
S 1.836350 -0.466228 -1.978697
P 1.596575 -0.093049 0.030886
O 0.065764 0.761654 0.457717
O 1.735147 -1.344913 1.181292
O 2.632934 1.021659 0.812379
O -2.725632 -1.351644 -0.152798
N -1.280463 -1.165413 0.005004
C -2.410094 0.880346 0.249977
C -1.157989 0.162773 0.233383
C -3.358735 -0.100892 0.007257
C -2.583920 2.354201 0.482252
C 1.493291 -2.773234 0.766375
C 2.858872 2.353647 0.166427
C -4.847221 -0.099833 -0.116110
C 2.811582 -3.448475 0.395160
C 4.003159 2.999981 0.939563
H -2.204610 2.647180 1.478028
H -2.021905 2.942539 -0.265711
H -3.645381 2.648610 0.420597
H 1.039342 -3.207207 1.672099
H 0.749402 -2.793914 -0.049321
H 3.111487 2.197147 -0.900167
H 1.923609 2.938269 0.241781
H -5.313133 -0.732143 0.661207
H -5.236910 0.925481 -0.007764
H -5.165132 -0.491013 -1.099182
H 2.632226 -4.525616 0.215269
H 3.238642 -3.012248 -0.524064
H 3.545952 -3.351820 1.213096
H 4.213296 4.002781 0.523737
H 3.739838 3.110618 2.004831
H 4.918257 2.389060 0.865797


