%chk=000080583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080583

0 1
 S    1.658700      -2.114000     -0.1385000    
 S   -1.982200     -0.6973000       1.536000    
 O    2.713000      -2.789400      0.6089000    
 O    1.419700      -2.502800      -1.523000    
 N   0.1948000      -2.250300      0.7596000    
 N   -2.302800     -0.2751000     -0.9709000    
 N   -1.196900      -1.100800     -0.8697000    
 C   -3.986200      0.8680000      0.4489000    
 C   -2.808000      1.1200000E-02  0.2100000    
 C    1.985700     -0.3997000     -8.8000000E-02
 C   -5.285400      0.3051000     -0.1753000    
 C   -3.783900       2.327700     -2.3399999E-02
 C  -0.9088000      -1.406600      0.3873000    
 C    2.753200      0.1339000      0.9474000    
 C    1.479200      0.4366000      -1.082900    
 C    2.508000       2.339700     -7.3000002E-03
 C    3.014200       1.503500      0.9878000    
 C    1.740400       1.806300      -1.042600    
 C    2.787200       3.804000      3.5900000E-02
 H   -4.176900      0.9284000       1.529700    
 H   -5.484300     -0.7067000      0.1947000    
 H   -6.144200      0.9354000      7.7900000E-02
 H   -5.207500      0.2531000      -1.266900    
 H   -3.633600       2.373500      -1.107700    
 H   -4.653600       2.943200      0.2291000    
 H   -2.903000       2.769400      0.4554000    
 H   0.2705000      -2.453100       1.763900    
 H    3.151800     -0.4968000       1.736900    
 H   0.8967000      4.5899998E-02  -1.911700    
 H    3.613500       1.907300       1.799500    
 H    1.345200       2.446600      -1.826800    
 H    1.966400       4.375900     -0.4101000    
 H    2.898100       4.155000       1.067500    
 H    3.708300       4.027000     -0.5116000    


%chk=000080583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080583

0 1
S 1.280887 -1.501935 0.222896
S -2.918676 -1.262451 1.638744
O 2.166758 -2.590526 1.046433
O 0.524669 -1.886943 -1.156771
N -0.074241 -0.964758 1.570907
N -2.749503 0.705548 -0.155116
N -1.426474 0.437161 0.186542
C -5.150948 0.130130 0.328068
C -3.655306 -0.023327 0.491230
C 2.285640 0.070358 0.010982
C -5.570779 -0.268522 -1.114434
C -5.588613 1.582157 0.659497
C -1.295362 -0.541812 1.100405
C 3.596660 0.057869 0.512087
C 1.701296 1.163428 -0.648759
C 3.846547 2.354798 -0.354024
C 4.374601 1.220187 0.317289
C 2.505633 2.310019 -0.823398
C 4.703920 3.584929 -0.584356
H -5.646092 -0.558938 1.038636
H -5.287946 -1.311049 -1.344008
H -6.665647 -0.170847 -1.226525
H -5.078843 0.391835 -1.848951
H -5.092711 2.293350 -0.022948
H -6.682763 1.681482 0.542132
H -5.323572 1.856729 1.695978
H -0.057838 -1.713387 2.280132
H 3.989307 -0.824940 1.026364
H 0.655646 1.133438 -0.972765
H 5.403627 1.243492 0.693341
H 2.078930 3.184918 -1.326593
H 4.100071 4.508738 -0.572525
H 5.494035 3.679858 0.180224
H 5.204386 3.533112 -1.570716


