%chk=000090664.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090664

0 1
 S    3.280500       1.069700     -0.1529000    
 O    3.671500       2.075300      0.8155000    
 O    2.472300       1.423000      -1.304100    
 O   -4.036900       1.605000      0.8008000    
 O   -4.371900      0.7146000      -1.177500    
 N    2.540600     -0.2455000      0.6452000    
 N   -3.694600      0.8335000     -0.1277000    
 C    1.084500      -2.221900      0.4405000    
 C    2.320700      -1.502800     -9.2100002E-02
 C  -0.1809000      -1.413500      0.2899000    
 C  -0.5663000     -0.5588000       1.310600    
 C  -0.9348000      -1.539700     -0.8664000    
 C   -1.735700      0.1889000       1.171400    
 C   -2.104100     -0.7919000      -1.005500    
 C    4.759400      0.2918000     -0.7611000    
 C   -2.504500      7.2300002E-02  1.3500000E-02
 H   0.9698000      -3.181600     -7.9499997E-02
 H    1.227000      -2.475600       1.499400    
 H    3.199300      -2.144300      3.2600001E-02
 H    2.189900      -1.299200      -1.160500    
 H    2.802200     -0.3885000       1.629700    
 H   2.2600001E-02 -0.4625000       2.218300    
 H  -0.6293000      -2.208500      -1.666000    
 H    4.501700     -0.4708000      -1.497200    
 H    5.368900       1.063400      -1.237600    
 H    5.306500     -0.1374000      8.0399998E-02
 H   -2.017000      0.8514000       1.986000    
 H   -2.677500     -0.9078000      -1.921700    


%chk=000090664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090664

0 1
S 2.720406 0.472156 -0.818229
O 1.833263 1.680773 -0.182620
O 2.311264 -0.258558 -2.221216
O -3.709841 1.928444 1.026035
O -3.567296 1.655212 -1.233487
N 2.969925 -0.904778 0.486029
N -3.197025 1.382424 -0.026829
C 1.017261 -2.562797 0.730037
C 2.375620 -2.204414 0.064485
C -0.086376 -1.534375 0.522730
C -0.696022 -0.905244 1.639967
C -0.520963 -1.178439 -0.782677
C -1.715323 0.052552 1.473521
C -1.537722 -0.224985 -0.971583
C 4.510045 1.076243 -0.992387
C -2.122661 0.377588 0.163056
H 0.703704 -3.541672 0.314767
H 1.176639 -2.721349 1.813866
H 3.116608 -2.990378 0.303910
H 2.274727 -2.180504 -1.039895
H 2.511334 -0.505177 1.329966
H -0.373398 -1.173166 2.653080
H -0.053200 -1.636726 -1.659528
H 5.099102 0.203347 -1.300422
H 4.484315 1.864624 -1.757482
H 4.806387 1.455651 -0.005702
H -2.192155 0.546246 2.324147
H -1.874720 0.065899 -1.969539


