%chk=000169405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169405

0 1
 S    1.787700      -1.897800     -8.7099999E-02
 S    4.771600      -1.885700     -0.4686000    
 O    1.386500       1.896900     -8.2400002E-02
 O   -5.042300      0.9974000      -1.397800    
 N    3.106600      0.3077000     -0.2874000    
 N   -3.211700     -0.1376000      0.5112000    
 C  -0.4288000     -0.3381000      0.1787000    
 C   0.8991000     -0.4339000      7.8999996E-03
 C    1.790800      0.7424000     -0.1222000    
 C   -4.649500     -3.3799998E-02  0.7331000    
 C    4.206900       1.255200     -0.4446000    
 C   -1.254600      -1.543000      0.3006000    
 C   -1.078900      0.9735000      0.2551000    
 C   -2.581000      -1.383500      0.4611000    
 C   -2.414100       1.005900      0.4179000    
 C    3.326100      -1.064800     -0.2961000    
 C   -5.421300     -9.6299998E-02 -0.5724000    
 C    4.807000       1.635500      0.8931000    
 H   -4.878700      0.9088000       1.247100    
 H   -4.990200     -0.8364000       1.399000    
 H    4.977800      0.8533000      -1.108300    
 H    3.813600       2.160000     -0.9227000    
 H  -0.8453000      -2.544500      0.2697000    
 H  -0.6148000       1.941000      0.2094000    
 H   -3.249600      -2.231400      0.5579000    
 H   -2.956300       1.942300      0.4875000    
 H   -6.496000     -2.0800000E-02 -0.3825000    
 H   -5.233000      -1.027300      -1.116900    
 H    4.053400       2.085700       1.548000    
 H    5.218700      0.7655000       1.413900    
 H    5.614000       2.362000      0.7553000    
 H   -4.126300      0.8429000      -1.684400    


%chk=000169405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169405

0 1
S 1.853009 -1.975388 -0.030695
S 4.923741 -1.872244 -0.466470
O 1.546981 1.978208 -0.149925
O -5.120184 1.155452 -1.401912
N 3.188039 0.278230 -0.313592
N -3.301071 -0.185085 0.642531
C -0.458337 -0.322877 0.233579
C 0.928456 -0.392096 0.036184
C 1.829306 0.735250 -0.139050
C -4.777702 -0.109383 0.722700
C 4.270480 1.277262 -0.479891
C -1.285554 -1.508403 0.399096
C -1.175676 0.943984 0.299630
C -2.649268 -1.415860 0.587973
C -2.541265 0.982186 0.493057
C 3.438019 -1.083156 -0.289408
C -5.445052 -0.070606 -0.671427
C 4.921084 1.649307 0.866634
H -5.050899 0.806770 1.275036
H -5.150271 -0.978787 1.295236
H 5.015617 0.840910 -1.167037
H 3.802774 2.162782 -0.942942
H -0.830384 -2.503183 0.380554
H -0.607898 1.871852 0.196250
H -3.280620 -2.299084 0.716103
H -3.097988 1.919513 0.561438
H -6.540210 -0.046339 -0.540834
H -5.177673 -0.977907 -1.252067
H 4.176198 2.088931 1.552003
H 5.371227 0.760952 1.341710
H 5.719566 2.394760 0.699944
H -4.207043 1.095151 -1.781309


