%chk=000169850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169850

0 1
 S    2.659300     -0.1793000      1.7000001E-02
 O    3.667300       1.080900     -0.2218000    
 O    2.720200      -1.051000      -1.142700    
 O    2.863500     -0.6905000       1.360700    
 N   -5.053100     -0.4553000     -1.0700000E-02
 C   -1.397400      0.6129000      6.5000001E-03
 C  -8.3400004E-02 -0.1731000     -1.9000000E-03
 C   -2.605700     -0.3271000      2.3100000E-02
 C    1.145500      0.7249000     -2.4300000E-02
 C   -3.916200      0.4576000     -5.9000002E-03
 H   -1.427700       1.268600      0.8850000    
 H   -1.442300       1.256400     -0.8804000    
 H  -4.3299999E-02 -0.8211000      0.8826000    
 H  -6.3699998E-02 -0.8395000     -0.8732000    
 H   -2.568200     -0.9569000      0.9209000    
 H   -2.556000     -0.9980000     -0.8440000    
 H    1.146400       1.403000      0.8353000    
 H    1.149100       1.323500     -0.9415000    
 H   -3.984100       1.109600      0.8716000    
 H   -3.958600       1.092500     -0.8977000    
 H   -5.015200      -1.047000     -0.8396000    
 H   -5.916800      8.1000000E-02 -8.1799999E-02
 H    3.661300       1.462700      -1.130900    


%chk=000169850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169850

0 1
S 2.711527 -0.157270 -0.114833
O 3.739963 1.383274 -0.362815
O 2.818556 -1.104810 -1.422128
O 3.015580 -0.786617 1.344888
N -5.155821 -0.504899 0.037306
C -1.465447 0.639343 -0.055752
C -0.126237 -0.143511 -0.044635
C -2.683286 -0.310319 0.002318
C 1.053922 0.823864 -0.116268
C -4.029098 0.445087 -0.020105
H -1.497888 1.334450 0.807889
H -1.523545 1.264196 -0.970757
H -0.063317 -0.753382 0.876735
H -0.097334 -0.837621 -0.906116
H -2.648590 -0.930032 0.918297
H -2.643012 -1.010705 -0.858341
H 1.161725 1.480967 0.760991
H 1.114667 1.397372 -1.054609
H -4.089147 1.098662 0.871835
H -4.045614 1.119685 -0.913054
H -5.205704 -1.144002 -0.762182
H -6.064007 -0.083647 0.251348
H 4.703006 1.114713 -0.363711


