%chk=000103769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103769

1 1
 S   0.7723000      -1.672200     -8.6700000E-02
 O    3.801500       3.719400      0.4775000    
 O    3.080600       2.314600      -1.151800    
 N   -2.161900      0.4672000     -0.1780000    
 N    2.376500      0.3425000      0.6468000    
 C   -1.436200      0.1976000      0.9076000    
 C   -3.442900      7.4100003E-02 -0.3086000    
 C    1.034900     -4.0399998E-02  0.5953000    
 C    3.227200     -0.6606000      0.1435000    
 C   -1.519100       1.226700      -1.266900    
 C  -4.2399999E-02  0.6574000      0.9879000    
 C   -4.046900     -0.6520000      0.7418000    
 C    2.545600      -1.817000     -0.2982000    
 C   -1.965400     -0.5073000       1.967900    
 C    2.933400       1.588000       1.138300    
 C   -3.285600     -0.9364000       1.883500    
 C   -4.166400      0.3793000      -1.465800    
 C    4.614800     -0.6192000      4.5400001E-02
 C   -5.382900      -1.059700      0.6027000    
 C   -1.735500       2.710200      -1.043500    
 C    3.215900      -2.911600     -0.8266000    
 C   -5.492500     -3.3900000E-02  -1.586400    
 C   -6.099200     -0.7509000     -0.5556000    
 C    5.299500      -1.717600     -0.4857000    
 C    4.605300      -2.854700     -0.9184000    
 C    3.269600       2.556800      3.4000002E-02
 H  -0.4502000       1.013100      -1.322600    
 H   -1.865600      0.8883000      -2.245200    
 H   6.8800002E-02   1.655300       1.402300    
 H   -1.382900     -0.7305000       2.856500    
 H    3.831200       1.408700       1.740900    
 H    2.219800       2.090700       1.800700    
 H   -3.716000      -1.493000       2.712700    
 H   -3.784700      0.9583000      -2.297400    
 H    5.188600      0.2446000      0.3650000    
 H   -5.876000      -1.619600       1.394100    
 H   -2.799500       2.966000      -1.042000    
 H   -1.253800       3.284000      -1.841300    
 H   -1.317100       3.045700     -9.0099998E-02
 H    2.682100      -3.794500      -1.163000    
 H   -6.058100      0.2090000      -2.481500    
 H   -7.133200      -1.069200     -0.6531000    
 H    6.383000      -1.688300     -0.5650000    
 H    5.155200      -3.697300      -1.328300    
 H    4.012000       4.331500     -0.2595000    


%chk=000103769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103769

1 1
S 1.310819 -2.265939 0.201429
O 4.003557 2.592487 -1.049877
O 1.688698 2.760894 -1.256150
N -2.315919 0.675272 -0.463213
N 2.468877 0.104229 0.398188
C -1.328499 -0.121212 0.129102
C -3.694076 0.353848 -0.376877
C 1.194049 -0.448248 0.264525
C 3.557075 -0.812403 0.366436
C -1.917384 1.901482 -1.232420
C 0.035786 0.322097 0.108263
C -4.090008 -0.884634 0.244732
C 3.128798 -2.161214 0.298331
C -1.744002 -1.344029 0.766023
C 2.672914 1.542766 0.658005
C -3.072725 -1.722800 0.810475
C -4.703931 1.215337 -0.895295
C 4.934148 -0.503781 0.403048
C -5.471298 -1.235959 0.308420
C -1.912767 3.181593 -0.373843
C 4.038541 -3.229751 0.297534
C -6.054967 0.842359 -0.817377
C -6.449201 -0.387972 -0.220637
C 5.855207 -1.573671 0.401733
C 5.418058 -2.920788 0.355453
C 2.701852 2.362712 -0.640060
H -0.922129 1.721438 -1.668534
H -2.610220 1.998430 -2.082779
H 0.219286 1.375535 -0.111719
H -0.988455 -1.949811 1.269029
H 3.616619 1.672804 1.206882
H 1.845941 1.913826 1.285631
H -3.365109 -2.652156 1.310449
H -4.457105 2.178191 -1.345379
H 5.289561 0.530354 0.399775
H -5.750971 -2.182731 0.783081
H -2.910683 3.399627 0.043386
H -1.602019 4.037062 -0.997604
H -1.202976 3.105716 0.467495
H 3.699621 -4.268483 0.249276
H -6.816852 1.517377 -1.220116
H -7.507519 -0.659327 -0.172145
H 6.926791 -1.354086 0.427986
H 6.151302 -3.732529 0.354180
H 4.035113 3.109183 -1.901644


