%chk=000154608.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154608

0 1
 S    3.882200       1.404200      0.6705000    
 O   -2.182600      -2.246700      4.8200000E-02
 O  -0.4161000       2.511600     -8.6199999E-02
 O    4.036000      -2.138900     -0.8600000    
 O    5.583600     -0.8294000     -1.7700000E-02
 N  -0.8292000      0.2114000     -3.7900001E-02
 N    4.377200      -1.047200     -0.3233000    
 C   -2.222600      0.1471000     -0.1106000    
 C    1.430900       1.082600      9.9600002E-02
 C   -2.881200      -1.081600     -6.5700002E-02
 C  -1.0900000E-02   1.354200     -2.9100001E-02
 C   -2.956100       1.327800     -0.2283000    
 C    2.054100     -0.1059000     -0.3182000    
 C   -4.273300      -1.129700     -0.1385000    
 C    2.274900       1.994700      0.6517000    
 C    3.407600     -6.7599997E-02 -6.4900003E-02
 C   -4.348300       1.279500     -0.3012000    
 C   -5.006900      5.0799999E-02 -0.2564000    
 C   -1.919300      -2.716900       1.368300    
 H  -0.3761000     -0.6943000      5.0500002E-02
 H   -2.530400       2.318800     -0.2786000    
 H    1.566900     -0.9498000     -0.7910000    
 H   -4.793400      -2.083300     -0.1052000    
 H    2.053900       2.975200       1.050500    
 H   -4.921000       2.197800     -0.3948000    
 H   -6.090800      1.3200000E-02 -0.3139000    
 H   -2.855900      -2.957800       1.880900    
 H   -1.358000      -1.973700       1.943400    
 H   -1.318000      -3.627100       1.293800    


%chk=000154608-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154608

0 1
S 4.157128 1.686866 -0.238359
O -1.820409 -1.929042 0.452717
O -0.338368 2.698044 -0.348297
O 3.997664 -2.253626 0.464294
O 5.756110 -0.801738 0.186459
N -0.763854 0.419319 0.044286
N 4.491112 -1.075517 0.249571
C -2.181165 0.393138 0.073421
C 1.539348 1.196909 -0.118436
C -2.765653 -0.893164 0.298503
C 0.069297 1.509953 -0.152292
C -3.022283 1.517317 -0.098203
C 2.175883 -0.076287 0.099937
C -4.162612 -1.052097 0.352084
C 2.464502 2.225538 -0.313030
C 3.559946 0.012396 0.066994
C -4.425762 1.352895 -0.044196
C -4.994589 0.081219 0.178955
C -2.319351 -3.287022 0.683933
H -0.348175 -0.505604 0.192400
H -2.566853 2.494149 -0.269529
H 1.680925 -1.033629 0.277524
H -4.608791 -2.035707 0.525374
H 2.222180 3.272062 -0.494863
H -5.071730 2.226548 -0.177755
H -6.082256 -0.038620 0.219740
H -2.940134 -3.629322 -0.165433
H -2.903001 -3.339037 1.622331
H -1.421909 -3.916942 0.767768


