%chk=000029085.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029085

0 1
 S   -1.617600       2.737300      0.2488000    
 O   0.6596000       1.615000     -0.1487000    
 O   -3.085600     -0.1062000      -1.355900    
 N   -1.031800      4.5100000E-02  0.5152000    
 N   -4.245200      -1.525900      3.1800002E-02
 C  -0.1629000      -1.080200      0.1725000    
 C    1.278600     -0.7165000      8.2400002E-02
 C    1.639800      0.6108000     -9.9100001E-02
 C   -2.378800     -0.3256000      0.9497000    
 C  -0.6645000       1.360300      0.2171000    
 C    2.283800      -1.687800      0.1109000    
 C    2.971100      0.9973000     -0.2425000    
 C    3.624100      -1.317200     -2.4900001E-02
 C    3.967100      2.4200000E-02 -0.2014000    
 C   -3.237600     -0.6305000     -0.2559000    
 H  -0.4983000      -1.480900     -0.7910000    
 H  -0.2895000      -1.851300      0.9414000    
 H   -2.312600      -1.190100       1.619100    
 H   -2.848000      0.4896000       1.508100    
 H    2.030600      -2.737400      0.2352000    
 H    3.235300       2.040900     -0.3834000    
 H    4.400900      -2.076100      1.5000000E-03
 H    5.009700      0.3081000     -0.3098000    
 H   -4.907200      -1.811400     -0.6822000    
 H   -4.367200      -1.933100      0.9535000    


%chk=000029085-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029085

0 1
S -2.072708 2.172642 0.946080
O 0.337015 1.468769 0.070187
O -3.470757 -2.519720 -0.318172
N -1.049635 -0.367697 0.622366
N -3.965247 -0.238978 -0.471618
C -0.131771 -1.319536 -0.073786
C 1.287232 -0.797130 -0.053830
C 1.466913 0.598093 0.003064
C -2.288760 -0.957485 1.175990
C -0.902060 0.996044 0.533191
C 2.432426 -1.619471 -0.126866
C 2.736876 1.201271 -0.026627
C 3.722161 -1.041543 -0.161881
C 3.871921 0.365934 -0.115392
C -3.305207 -1.322296 0.062366
H -0.487875 -1.473866 -1.114055
H -0.207226 -2.293578 0.438853
H -2.026662 -1.892004 1.698084
H -2.724204 -0.234351 1.885704
H 2.315929 -2.708877 -0.164683
H 2.818031 2.290655 0.021601
H 4.605982 -1.684376 -0.224405
H 4.870865 0.813131 -0.142477
H -4.627653 -0.389708 -1.233234
H -3.751784 0.712479 -0.138058


