%chk=000181158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181158

0 1
S 0.047831 2.615789 0.876020
P -0.646351 0.979282 -0.216803
O -1.799922 0.456967 0.865950
O -1.170720 1.246941 -1.584429
C 0.765425 -0.178053 -0.061818
C 1.551005 -0.413801 -1.189453
C 1.031804 -0.798161 1.158400
C -2.866628 -0.362300 0.321759
C 2.636504 -1.293119 -1.089531
C 2.117885 -1.676614 1.251237
C 2.917677 -1.920129 0.128932
C -2.402762 -1.791272 0.095224
C -1.174577 3.895093 0.446725
H 1.337061 0.067274 -2.149710
H 0.410815 -0.616980 2.040983
H -3.614919 -0.294912 1.138362
H -3.280359 0.100163 -0.596418
H 3.260854 -1.487175 -1.959732
H 2.341794 -2.167543 2.196301
H 3.764474 -2.602336 0.204833
H -3.255243 -2.480777 0.060539
H -1.855247 -1.916787 -0.847937
H -1.742062 -2.129358 0.905329
H -2.136370 3.714108 0.942643
H -1.342829 3.973005 -0.637442
H -0.776437 4.855895 0.798238


%chk=000181158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181158

0 1
S 0.228335 2.877114 0.739696
P -0.461463 0.986580 -0.355515
O -1.719992 0.485051 0.763031
O -0.967095 1.108597 -1.871796
C 0.953864 -0.183323 -0.113159
C 1.598907 -0.689085 -1.265627
C 1.361164 -0.565661 1.185587
C -2.920953 -0.195775 0.189850
C 2.671648 -1.595463 -1.110786
C 2.435390 -1.471611 1.328490
C 3.089686 -1.984583 0.183196
C -2.687171 -1.698821 0.010430
C -1.435424 3.778003 0.724797
H 1.258373 -0.376780 -2.259053
H 0.845587 -0.166570 2.065213
H -3.705751 0.007480 0.937804
H -3.189922 0.286411 -0.768817
H 3.179950 -1.992953 -1.995705
H 2.761472 -1.775569 2.328919
H 3.923817 -2.685508 0.299537
H -3.627504 -2.189030 -0.305868
H -1.925026 -1.895940 -0.764315
H -2.356093 -2.159987 0.956877
H -2.177131 3.180214 1.273409
H -1.756021 3.954311 -0.312431
H -1.259943 4.738098 1.234438


