%chk=000146750.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146750

1 1
 S   -2.655300      0.6007000      0.7798000    
 S    2.467500      0.7005000     -5.2600000E-02
 O   -8.761800       2.092700     -0.1797000    
 O   -7.317900       3.396300      0.8375000    
 O    8.625700       2.340400     -0.2530000    
 O    6.935300       3.740500     -0.2870000    
 N   -3.542500      -1.412800     -0.4239000    
 N    3.715200      -1.666900      3.6200002E-02
 N   -7.606400       2.327400      0.2482000    
 N    7.392900       2.573200     -0.2396000    
 C   -4.626800     -0.5712000     -0.3191000    
 C    4.735600     -0.6987000     -2.9899999E-02
 C   -2.452600     -0.9389000      0.1006000    
 C    2.446100      -1.085200      3.2200001E-02
 C   -4.323100      0.6183000      0.3314000    
 C   -3.620300      -2.709500      -1.063700    
 C    4.257500      0.6300000     -8.4200002E-02
 C    4.053500      -3.075800      9.5899999E-02
 C   -5.922000     -0.8226000     -0.7937000    
 C    6.109500     -0.9203000     -4.6300001E-02
 C   -1.188800      -1.614400      0.1246000    
 C    1.252900      -1.697600      8.3300002E-02
 C   -5.299600       1.603500      0.5341000    
 C    5.114300       1.719700     -0.1534000    
 C  -3.5000001E-03 -0.9851000      7.2800003E-02
 C   -3.988800      -3.794600     -6.9899999E-02
 C    4.225700      -3.511000       1.538600    
 C   -6.591600       1.350500      5.9500001E-02
 C    6.487300       1.481400     -0.1691000    
 C   -6.899100      0.1574000     -0.5938000    
 C    6.981200      0.1717000     -0.1160000    
 H   -4.344700      -2.688100      -1.884600    
 H   -2.669600      -2.954500      -1.551400    
 H    4.946500      -3.316700     -0.4915000    
 H    3.254800      -3.674400     -0.3586000    
 H   -6.197900      -1.742900      -1.297400    
 H    6.534500      -1.917300      1.5000000E-03
 H   -1.200400      -2.700200      0.1715000    
 H    1.203300      -2.781500      0.1412000    
 H   -5.035300       2.524100       1.045700    
 H    4.700200       2.723000     -0.1934000    
 H  -1.0400000E-02  9.4499998E-02 -4.4000000E-03
 H   -3.258300      -3.861300      0.7419000    
 H   -4.033900      -4.767400     -0.5687000    
 H   -4.966400      -3.598400      0.3816000    
 H    5.041000      -2.968400       2.027900    
 H    3.313200      -3.335000       2.118200    
 H    4.455200      -4.580100       1.586700    
 H   -7.900200     -5.1300000E-02 -0.9649000    
 H    8.048800     -3.6600001E-02 -0.1253000    


%chk=000146750-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146750

1 1
S -2.633052 0.882458 -0.126422
S 2.670723 0.939941 0.052013
O -9.024851 1.974188 -0.078992
O -7.403258 3.574699 0.106286
O 9.022935 2.170856 0.483285
O 7.357913 3.733472 0.590376
N -3.676878 -1.535504 -0.439782
N 3.785507 -1.451076 -0.220262
N -7.795769 2.354535 -0.028477
N 7.784778 2.523806 0.466167
C -4.799149 -0.680069 -0.339433
C 4.880139 -0.572057 -0.046899
C -2.443564 -0.914398 -0.325595
C 2.533873 -0.858745 -0.173457
C -4.437743 0.686403 -0.179360
C -3.825226 -3.009894 -0.610661
C 4.479367 0.784391 0.103614
C 3.978503 -2.919505 -0.397803
C -6.163224 -1.051688 -0.386964
C 6.252662 -0.913208 -0.018199
C -1.190586 -1.559438 -0.348690
C 1.299353 -1.531288 -0.274693
C -5.393143 1.702742 -0.076915
C 5.404114 1.820326 0.270927
C 0.045423 -0.889340 -0.259362
C -3.890909 -3.756971 0.735742
C 3.994945 -3.679996 0.942571
C -6.745584 1.303134 -0.134558
C 6.766234 1.450976 0.289027
C -7.140858 -0.046350 -0.284159
C 7.199821 0.112153 0.150414
H -4.739242 -3.180059 -1.203105
H -2.985912 -3.367688 -1.229437
H 4.925094 -3.060725 -0.945235
H 3.180534 -3.290768 -1.061642
H -6.469242 -2.095080 -0.495202
H 6.587699 -1.948491 -0.117689
H -1.179074 -2.651689 -0.432393
H 1.317524 -2.623189 -0.362003
H -5.144604 2.760326 0.042880
H 5.125194 2.870924 0.385315
H 0.030245 0.208320 -0.170420
H -2.970873 -3.609338 1.327006
H -4.011585 -4.838558 0.551622
H -4.747026 -3.418302 1.343952
H 4.809202 -3.326248 1.597840
H 3.042110 -3.563623 1.487047
H 4.153850 -4.755824 0.753779
H -8.206996 -0.284979 -0.315404
H 8.271107 -0.102461 0.179151


