%chk=000178612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178612

0 1
 S  -0.1893000     -0.9924000      -2.396600    
 P  -0.1321000     -0.6056000     -0.4698000    
 O  -0.4855000      -1.945700      0.3967000    
 N    1.336000     -0.1070000      0.1740000    
 N   -1.209100      0.5394000      0.1210000    
 C   0.5576000       2.191000      0.6058000    
 C    1.671400       1.315100      2.2200000E-02
 C  -0.8156000       1.947400     -2.9300001E-02
 C    2.520900     -0.9329000     -5.3900000E-02
 C   -2.634100      0.3829000     -0.1682000    
 C  -0.6202000      -1.792400       1.798100    
 H   0.4920000       2.021800       1.688900    
 H   0.8284000       3.244900      0.4700000    
 H    1.823200       1.558600      -1.036000    
 H    2.599500       1.553300      0.5554000    
 H   -1.537200       2.605800      0.4693000    
 H  -0.7908000       2.223200      -1.090200    
 H    3.334700     -0.6515000      0.6231000    
 H    2.876600     -0.8505000      -1.085900    
 H    2.293400      -1.984900      0.1459000    
 H   -3.241100       1.015200      0.4886000    
 H   -2.948900     -0.6506000      7.4000000E-03
 H   -2.862800      0.6341000      -1.209000    
 H   0.1584000      -1.153400       2.221500    
 H  -0.5345000      -2.781000       2.257500    
 H   -1.606900      -1.390600       2.041200    


%chk=000178612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178612

0 1
S -0.259474 -1.288240 -2.449035
P -0.167198 -0.663385 -0.472882
O -0.548452 -2.020769 0.558171
N 1.377981 -0.082842 0.164407
N -1.277986 0.600797 0.074466
C 0.529512 2.211690 0.708178
C 1.661824 1.376154 0.085556
C -0.813855 2.011838 -0.015253
C 2.530962 -0.945370 -0.194060
C -2.681273 0.392187 -0.360011
C -0.536772 -1.805488 2.023865
H 0.414714 1.939434 1.772935
H 0.807367 3.281606 0.653721
H 1.843967 1.698585 -0.967053
H 2.601631 1.546290 0.644952
H -1.593257 2.632877 0.466048
H -0.735240 2.346944 -1.076669
H 3.357701 -0.733541 0.508067
H 2.883560 -0.780157 -1.234320
H 2.247900 -2.006485 -0.093047
H -3.342276 0.985804 0.297380
H -2.948547 -0.672904 -0.257006
H -2.853292 0.690491 -1.415970
H 0.455184 -1.453567 2.360114
H -0.762461 -2.796528 2.447546
H -1.308220 -1.071222 2.317601


