%chk=000132231.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132231

0 1
 S   -4.425600     -5.4499999E-02   1.333400    
 O    3.544900      4.6000000E-02 -0.5589000    
 O   -1.849400      2.2200000E-02  -1.464100    
 N   -4.157000     -2.7999999E-03  -1.244500    
 N   -6.408400     -3.6400001E-02 -0.4518000    
 C    2.263900       2.538000     -7.9999998E-02
 C    2.338300      -2.484000     -8.5100003E-02
 C    1.582600       1.185600      0.1867000    
 C    1.637600      -1.191200      0.1759000    
 C    2.271400      2.6600000E-02 -7.1599998E-02
 C    3.559700       2.756500      0.7336000    
 C    2.640200       2.644600      -1.573700    
 C    1.298300       3.686700      0.2836000    
 C    1.326100      -3.605800     -0.4710000    
 C    3.119600      -2.966500       1.175400    
 C    3.390000      -2.453800      -1.242300    
 C   0.2993000       1.204600      0.6770000    
 C   0.3348000      -1.211100      0.6736000    
 C  -0.3345000     -1.3200000E-02  0.9242000    
 C   -1.693000     -3.3900000E-02   1.443300    
 C   -2.827700     -2.8899999E-02  0.7138000    
 C   -2.857600     -6.9999998E-04 -0.7712000    
 C   -5.053500     -2.8000001E-02 -0.3065000    
 H    4.363900       2.068900      0.4585000    
 H    3.370800       2.623400       1.805400    
 H    3.950500       3.770800      0.5887000    
 H    1.777900       2.422300      -2.213900    
 H    2.968700       3.662800      -1.816100    
 H    3.455400       1.981700      -1.875100    
 H    1.038600       3.702400       1.349100    
 H   0.3874000       3.684300     -0.3275000    
 H    1.777400       4.654600      8.2999997E-02
 H    1.848300      -4.515500     -0.7925000    
 H   0.6987000      -3.917400      0.3711000    
 H   0.6776000      -3.293900      -1.298200    
 H    3.881200      -2.237900       1.475700    
 H    3.620500      -3.923800      0.9914000    
 H    2.443300      -3.100900       2.027800    
 H    4.356900      -2.035100     -0.9487000    
 H    3.007300      -1.924500      -2.122600    
 H    3.630200      -3.473200      -1.571800    
 H  -0.2770000       2.093900      0.8956000    
 H  -0.1838000      -2.135500      0.9050000    
 H   -1.755100     -5.6800000E-02   2.529900    
 H    4.115800     -0.2990000      0.1503000    
 H   -7.025000     -5.7300001E-02  0.3531000    
 H   -6.840400     -2.2600001E-02  -1.369300    


%chk=000132231-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132231

0 1
S -4.640728 -0.928015 0.264374
O 3.753998 0.113786 -0.155302
O -2.400301 2.355083 -0.075538
N -4.684334 1.786165 0.032411
N -6.824939 0.783878 0.176061
C 2.116658 2.477635 -0.243444
C 2.763150 -2.703402 0.127414
C 1.532286 1.046883 -0.110445
C 1.845057 -1.448101 0.064496
C 2.368015 -0.116808 -0.065025
C 3.051514 2.790947 0.965756
C 2.909528 2.608738 -1.580574
C 0.999196 3.555799 -0.257000
C 1.938985 -4.012348 0.279307
C 3.706464 -2.640988 1.373991
C 3.584740 -2.862869 -1.194516
C 0.140427 0.847266 -0.032714
C 0.444839 -1.571521 0.135757
C -0.435261 -0.450288 0.086331
C -1.862639 -0.757023 0.162469
C -3.024729 -0.011818 0.139049
C -3.298169 1.469815 0.022593
C -5.462132 0.728926 0.143712
H 3.902873 2.094438 1.014410
H 2.489402 2.730632 1.916385
H 3.446938 3.819861 0.868744
H 2.245046 2.423051 -2.444934
H 3.309451 3.636356 -1.672661
H 3.752323 1.901498 -1.625261
H 0.401524 3.552873 0.672212
H 0.303393 3.431142 -1.105905
H 1.470281 4.551591 -0.350652
H 2.631186 -4.872928 0.322779
H 1.341113 -4.017175 1.208562
H 1.260425 -4.173237 -0.577875
H 4.390750 -1.772190 1.394906
H 4.332969 -3.551182 1.415987
H 3.105972 -2.590269 2.299756
H 4.254783 -2.014769 -1.430283
H 2.899689 -2.969327 -2.054738
H 4.214190 -3.770192 -1.137975
H -0.539528 1.698618 -0.065096
H 0.001948 -2.567198 0.232485
H -2.035751 -1.840789 0.256916
H 4.253035 -0.737025 -0.119139
H -7.396331 -0.053138 0.261303
H -7.268201 1.699321 0.109613


