%chk=000178622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178622

0 1
 S  -9.7599998E-02  -2.510300      0.7285000    
 P  -0.3455000     -0.6639000     -0.2691000    
 O   -1.467500      0.2226000      0.5170000    
 O  -0.8204000     -0.9501000      -1.677500    
 N    1.076700      0.1657000     -0.1726000    
 C    1.624700      0.4939000       1.141400    
 C    2.215500     -0.2797000     -0.9757000    
 C    2.924200       1.196200      0.8048000    
 C    3.415600      0.4971000     -0.4524000    
 C   -1.770300       1.538900      8.8000000E-02
 C   -2.277100       1.494100      -1.345500    
 C   -2.794000       2.150500       1.032200    
 C   -1.684400      -3.355100      0.5810000    
 H    1.824200     -0.4087000       1.729200    
 H   0.9584000       1.143000       1.716800    
 H    2.047400     -8.4100001E-02  -2.039400    
 H    2.387500      -1.355000     -0.8526000    
 H    3.651700       1.141300       1.620100    
 H    2.738400       2.255600      0.5890000    
 H    3.777000       1.228100      -1.183300    
 H    4.241200     -0.1847000     -0.2205000    
 H  -0.8606000       2.147400      0.1329000    
 H   -2.748500       2.443500      -1.622100    
 H   -1.456300       1.342400      -2.052300    
 H   -3.007000      0.6907000      -1.490600    
 H   -3.035600       3.179300      0.7488000    
 H   -2.412300       2.151000       2.058900    
 H   -3.717800       1.561500       1.040400    
 H   -1.921900      -3.522600     -0.4724000    
 H   -2.472600      -2.748000       1.033000    
 H   -1.639100      -4.319200       1.093300    


%chk=000178622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178622

0 1
S -0.843151 -2.198256 1.571802
P -0.655635 -0.641810 -0.136530
O -1.738974 0.503136 0.593137
O -0.959487 -1.239853 -1.592117
N 0.870599 0.181597 -0.086736
C 1.479276 0.590224 1.215531
C 1.914408 -0.049909 -1.131856
C 2.981371 0.779948 0.877461
C 3.219440 -0.183883 -0.314635
C -1.924675 1.844411 -0.069105
C -2.774648 1.691981 -1.339726
C -2.579133 2.709397 1.011450
C -0.691422 -3.724907 0.456842
H 1.332572 -0.208133 1.972811
H 1.014407 1.516241 1.598625
H 1.960461 0.823388 -1.811982
H 1.670230 -0.938326 -1.739221
H 3.625915 0.560459 1.745316
H 3.172712 1.823111 0.565282
H 4.112594 0.081461 -0.905512
H 3.337853 -1.221359 0.048616
H -0.917736 2.235485 -0.325781
H -2.929621 2.680333 -1.811686
H -2.284872 1.025051 -2.070649
H -3.760896 1.263647 -1.088922
H -2.744526 3.733258 0.628240
H -1.941279 2.765173 1.910014
H -3.553674 2.280747 1.302623
H -0.920353 -3.427256 -0.580935
H -1.440233 -4.449516 0.809466
H 0.322473 -4.144439 0.527478


