%chk=000044322.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044322

0 1
 S   -1.302600     -0.5649000     -5.2600000E-02
 O   -1.436200     -0.4891000      -1.496900    
 O   -1.274400      -1.848100      0.6274000    
 N   -2.501900      0.4123000      0.6638000    
 C   -3.016200       1.480500     -0.2039000    
 C   -3.841500      0.2620000      7.9099998E-02
 C   0.1409000      0.3381000      0.4150000    
 C    1.403400     -0.3305000     -0.1088000    
 C    2.686900      0.3984000      0.2951000    
 C    3.950600     -0.2286000     -0.2949000    
 C    5.190900      0.5700000      7.6499999E-02
 H   -2.548100       1.602400      -1.166800    
 H   -3.229100       2.383500      0.3498000    
 H   -4.619500      0.3276000      0.8250000    
 H   -3.938900     -0.5047000     -0.6736000    
 H   0.1606000      0.3888000       1.508300    
 H   5.0400000E-02   1.350700      9.7000003E-03
 H    1.452800      -1.364900      0.2535000    
 H    1.354800     -0.3912000      -1.203200    
 H    2.764000      0.4135000       1.389400    
 H    2.618700       1.443700     -3.1500001E-02
 H    3.867600     -0.2751000      -1.386800    
 H    4.057600      -1.257600      6.7199998E-02
 H    5.318500      0.6134000       1.162800    
 H    5.126800       1.594600     -0.3037000    
 H    6.083700      0.1040000     -0.3522000    


%chk=000044322-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044322

0 1
S -1.276305 -0.143450 -0.500965
O -1.376336 0.204417 -2.093969
O -1.409340 -1.696036 -0.010729
N -2.582360 0.963113 0.488176
C -3.827578 1.172964 -0.383046
C -3.859476 0.145834 0.724485
C 0.335531 0.620367 0.224695
C 1.554016 -0.141463 -0.296156
C 2.864373 0.452215 0.282057
C 4.114695 -0.310472 -0.215945
C 5.428809 0.270928 0.347506
H -3.766770 0.826011 -1.422460
H -4.285119 2.157125 -0.244302
H -4.340195 0.371762 1.681078
H -3.821890 -0.918200 0.458787
H 0.180446 0.539164 1.312489
H 0.278787 1.670903 -0.102755
H 1.473085 -1.208628 -0.014079
H 1.581223 -0.093020 -1.401676
H 2.833349 0.419620 1.390477
H 2.949629 1.521025 -0.002430
H 4.140436 -0.283593 -1.323801
H 4.026903 -1.378119 0.069015
H 5.440296 0.231250 1.452988
H 5.557767 1.327857 0.047386
H 6.305824 -0.292772 -0.019127


