%chk=000121945.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121945

0 1
 S  -0.9313000      -3.274200      7.7999998E-03
 O  -0.2552000      -4.047700      -1.016200    
 O   -1.506100      -3.937200       1.162700    
 O   -2.839800       3.664400       1.469900    
 O  -0.6264000       3.316000       1.091300    
 N   -2.120500      -2.298400     -0.7157000    
 N    3.607600       1.388400      2.0199999E-02
 N   -1.045900       2.921300      -1.586400    
 C   -3.764100     -0.4803000     -0.4306000    
 C   -2.689500      0.6087000     -0.3294000    
 C   -3.277600      -1.832900      7.9099998E-02
 C   -3.214000       1.950200     -0.8606000    
 C   0.2062000      -2.067500      0.6195000    
 C    1.009800      -1.296000     -0.2266000    
 C   -2.227400       3.122100     -0.7483000    
 C    1.894800     -0.3505000      0.3441000    
 C    2.704500      0.4282000     -0.4986000    
 C   0.2614000      -1.922900       2.001500    
 C   0.9606000      -1.434800      -1.623300    
 C    1.943700     -0.2114000       1.740800    
 C    1.131600     -0.9931000       2.562800    
 C    2.642800      0.2770000      -1.884100    
 C    1.772300     -0.6527000      -2.445400    
 C   -1.776800       3.363000      0.6792000    
 C    3.176800       2.752900      0.2315000    
 C    4.962100       1.007500      0.3550000    
 H   -4.646800     -0.1805000      0.1467000    
 H   -4.081500     -0.5787000      -1.476300    
 H   -1.806300      0.3125000     -0.9046000    
 H   -2.379100      0.7093000      0.7168000    
 H   -4.080300      -2.572200     -9.8999999E-03
 H   -3.005700      -1.744100       1.136000    
 H   -3.507900       1.830000      -1.911600    
 H   -4.131800       2.207200     -0.3158000    
 H   -2.264200      -2.361500      -1.731000    
 H   -2.719800       4.038300      -1.095100    
 H  -0.3548000      -2.506300       2.678000    
 H   0.2862000      -2.105600      -2.139900    
 H    2.608600      0.5004000       2.223500    
 H    1.178600     -0.8747000       3.641500    
 H    3.267800      0.8810000      -2.537200    
 H    1.718800     -0.7628000      -3.524700    
 H  -0.4302000       3.730500      -1.514200    
 H  -0.5082000       2.122400      -1.253100    
 H    2.526000       2.820700       1.109200    
 H    2.623500       3.128200     -0.6365000    
 H    4.026300       3.425800      0.3895000    
 H    5.448600       1.756100      0.9892000    
 H    5.560300      0.8961000     -0.5555000    
 H    4.984300      5.7200000E-02  0.8994000    
 H   -2.569300       3.829900       2.398200    


%chk=000121945-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121945

0 1
S -0.928125 -3.571785 -0.260489
O -0.421837 -4.180558 -1.683840
O -1.412463 -4.586070 0.927587
O -2.174563 3.936575 1.109017
O -0.074204 3.573116 0.197968
N -2.247267 -2.357285 -0.741836
N 3.260691 1.588614 0.507080
N -1.240366 2.633756 -2.272845
C -3.634166 -0.434517 -0.045375
C -2.548407 0.633132 -0.306401
C -3.048877 -1.802279 0.381680
C -3.154148 1.960215 -0.810828
C 0.302833 -2.361113 0.532762
C 0.925016 -1.327147 -0.239505
C -2.106168 3.054660 -1.169772
C 1.774799 -0.405694 0.502786
C 2.410587 0.698378 -0.201282
C 0.478757 -2.547105 1.898851
C 0.714161 -1.133153 -1.643670
C 1.902323 -0.560394 1.920709
C 1.290654 -1.612764 2.606740
C 2.114082 0.890565 -1.564299
C 1.284723 -0.024616 -2.273492
C -1.318470 3.519573 0.078365
C 3.361084 2.977242 0.026861
C 4.516888 1.069261 1.092221
H -4.319791 -0.094909 0.757937
H -4.254113 -0.565609 -0.955576
H -1.836187 0.221693 -1.044566
H -1.979310 0.807938 0.630658
H -3.852879 -2.490698 0.711111
H -2.370589 -1.651916 1.242986
H -3.731823 1.773719 -1.735771
H -3.847306 2.370996 -0.052889
H -2.808759 -2.836998 -1.469450
H -2.680531 3.944103 -1.499347
H -0.030678 -3.374913 2.403848
H 0.113591 -1.850553 -2.207368
H 2.461751 0.197931 2.475525
H 1.402986 -1.709114 3.691162
H 2.564261 1.729582 -2.102950
H 1.123847 0.126138 -3.347147
H -0.685795 3.396079 -2.675215
H -0.643195 1.829865 -2.046556
H 2.354353 3.359480 -0.207516
H 4.021401 3.091003 -0.864806
H 3.786512 3.598964 0.835905
H 4.762914 1.608591 2.026703
H 5.369724 1.195062 0.387213
H 4.427828 -0.004023 1.318275
H -1.633052 4.256278 1.881638


