%chk=000152889.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152889

0 1
 S    3.694800     -3.0000000E-03 -0.7309000    
 O    1.419500      -1.947800      0.2444000    
 O    1.423100       1.945900      0.2447000    
 O   -1.660700      -3.654700     -0.1829000    
 O   -1.655300       3.657500     -0.1766000    
 N   -1.123200      -1.394600      7.7299997E-02
 N   -1.120900       1.395800      7.6499999E-02
 C   -2.366500     -0.7106000      7.0000000E-02
 C   -2.365400      0.7138000      6.9899999E-02
 C    2.700400      -2.399100      0.1543000    
 C    2.704400       2.395700      0.1525000    
 C    3.768500      -1.408300      0.4352000    
 C    3.772000       1.404000      0.4327000    
 C   0.5852000      -2.995300     -3.5300002E-02
 C   0.5897000       2.994300     -3.5200000E-02
 C    2.698800      -3.742100     -0.1568000    
 C    2.704100       3.738200     -0.1601000    
 C  -0.8447000      -2.750200     -4.7100000E-02
 C  -0.8404000       2.751400     -4.5000002E-02
 C    1.337400      -4.127800     -0.2716000    
 C    1.343100       4.125500     -0.2736000    
 C   -3.589200      -1.394200      4.9500000E-02
 C   -3.587100       1.399100      4.9100000E-02
 C   -4.794400     -0.6917000      2.9700000E-02
 C   -4.793300      0.6983000      2.9500000E-02
 H    4.753300      -1.875400      0.3330000    
 H    3.672000      -1.070600       1.471100    
 H    3.677400       1.068100       1.469400    
 H    4.757000       1.870000      0.3278000    
 H  -0.2994000     -0.8130000      0.1535000    
 H  -0.2979000      0.8128000      0.1492000    
 H    3.569500      -4.370000     -0.2813000    
 H    3.575300       4.364900     -0.2865000    
 H   0.9559000      -5.109900     -0.5127000    
 H   0.9625000       5.107800     -0.5153000    
 H   -3.647400      -2.476500      5.7200000E-02
 H   -3.643900       2.481400      5.6200001E-02
 H   -5.736200      -1.233000      1.6700000E-02
 H   -5.734400       1.240900      1.6200000E-02


%chk=000152889-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152889

0 1
S 4.140042 -0.041104 -0.614243
O 1.443734 -1.930603 0.372595
O 1.464834 1.883921 0.214792
O -1.692008 -3.500898 -0.652081
O -1.707586 3.643616 -0.112350
N -1.194940 -1.399747 0.326856
N -1.167463 1.331816 -0.075583
C -2.448515 -0.726393 0.212319
C -2.433432 0.699080 0.042542
C 2.764787 -2.404746 0.227021
C 2.781325 2.383407 0.131383
C 3.865900 -1.496655 0.625841
C 3.889565 1.482530 0.534259
C 0.581708 -2.956236 -0.099302
C 0.594494 2.952969 -0.130490
C 2.727005 -3.688672 -0.310563
C 2.734521 3.718574 -0.260491
C -0.869383 -2.671590 -0.160677
C -0.864005 2.695413 -0.106445
C 1.343607 -4.039483 -0.513969
C 1.347770 4.082192 -0.417357
C -3.679823 -1.418676 0.254297
C -3.658787 1.409591 -0.017930
C -4.892864 -0.703456 0.167275
C -4.879004 0.705155 0.048160
H 4.813604 -2.053613 0.670484
H 3.677205 -1.028705 1.607062
H 3.726541 1.071035 1.545903
H 4.837063 2.042348 0.532086
H -0.429335 -0.913725 0.805223
H -0.358997 0.719213 -0.221784
H 3.594567 -4.305156 -0.537744
H 3.596603 4.366358 -0.407235
H 0.942142 -4.961559 -0.927350
H 0.940321 5.047594 -0.707568
H -3.670766 -2.506508 0.346037
H -3.633338 2.494994 -0.131079
H -5.842946 -1.246495 0.200989
H -5.820547 1.261813 -0.006185


