%chk=000105082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105082

0 1
 S   0.9734000     -8.7399997E-02 -0.2773000    
 O   -1.946900       2.186200       1.813000    
 O   -1.451600      -1.331700      -1.465400    
 O   -2.151800       3.325700      -2.075100    
 O  -0.3839000     -2.3499999E-02   1.988000    
 O    3.978100      -1.655300      -1.900500    
 O    3.172300      -3.121200     -0.3702000    
 O    5.286800       1.109800       1.664300    
 N   -1.298000       1.412700      -1.031000    
 N    4.207400      0.3357000     -0.2480000    
 C   -1.677000      0.5187000      4.0100001E-02
 C   -2.643200       1.380900      0.8631000    
 C   -2.339600     -0.7399000     -0.5173000    
 C   -3.318100       2.268300     -0.2015000    
 C   -2.637200      -1.791600      0.5552000    
 C   -2.207700       2.451000      -1.224400    
 C  -0.4261000      0.1296000      0.7734000    
 C   -3.755800      -2.795900      0.2244000    
 C   -3.866200       3.590700      0.3043000    
 C   -3.972100      -3.738000       1.412100    
 C   -3.453900      -3.611400      -1.033000    
 C    2.231100     -0.5346000      0.9392000    
 C    3.600700     -0.8387000      0.3272000    
 C    3.549300      -1.992500     -0.6608000    
 C    5.001900       1.212700      0.4741000    
 C    5.528000       2.339600     -0.3739000    
 H   -3.389300      0.8094000       1.421000    
 H   -3.261500     -0.4876000      -1.054300    
 H   -4.118300       1.705400     -0.6984000    
 H  -0.4699000       1.294600      -1.607000    
 H   -1.722300      -2.359600      0.7741000    
 H   -2.926500      -1.299400       1.490600    
 H   -4.687600      -2.240600      5.8600001E-02
 H   -4.577200       3.430700       1.120800    
 H   -4.387700       4.120900     -0.5002000    
 H   -3.070700       4.254200      0.6597000    
 H   -1.274800       2.703200       1.337000    
 H   -1.311400     -0.6848000      -2.177600    
 H   -3.072600      -4.326900       1.622400    
 H   -4.228200      -3.174400       2.315500    
 H   -4.793400      -4.434200       1.211400    
 H   -2.488800      -4.123100     -0.9542000    
 H   -3.435400      -2.975800      -1.923500    
 H   -4.225900      -4.371200      -1.197000    
 H    1.876900      -1.420400       1.479000    
 H    2.321800      0.2817000       1.664700    
 H    4.267900      -1.173000       1.132500    
 H    4.028900      0.5301000      -1.229400    
 H    3.943000      -2.415100      -2.520100    
 H    6.275700       1.952900      -1.071700    
 H    5.989600       3.097300      0.2650000    
 H    4.711500       2.803900     -0.9343000    


%chk=000105082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105082

0 1
S 1.221351 1.502570 0.849290
O -2.294297 2.164906 2.152179
O -1.007214 -0.921699 -1.593336
O -2.239323 3.602060 -1.848851
O -0.376784 -0.335571 2.128762
O 1.560304 -1.098308 -1.153740
O 1.426543 -2.487472 0.710831
O 5.631050 0.453215 1.015226
N -1.220494 1.751336 -0.792308
N 3.858151 -0.024544 -0.396470
C -1.504926 0.728016 0.233130
C -2.730622 1.381981 1.002275
C -1.955812 -0.618430 -0.483730
C -3.429758 2.241749 -0.094082
C -2.106438 -1.871250 0.389798
C -2.266405 2.654256 -1.025876
C -0.326347 0.485474 1.198158
C -3.114290 -2.922335 -0.155549
C -4.265057 3.432618 0.402993
C -3.351941 -4.005136 0.925003
C -2.658443 -3.577914 -1.481076
C 2.471474 0.342125 1.677944
C 3.090161 -0.676315 0.667179
C 1.969986 -1.548005 0.090301
C 5.113598 0.502125 -0.145143
C 5.824638 1.128178 -1.338639
H -3.382483 0.611470 1.439228
H -2.932133 -0.383816 -0.960847
H -4.089805 1.576040 -0.688352
H -0.297313 1.860032 -1.221479
H -1.114276 -2.338214 0.538558
H -2.438366 -1.556094 1.396766
H -4.082844 -2.404806 -0.338933
H -5.155121 3.084798 0.954660
H -4.589738 4.037889 -0.460437
H -3.685017 4.083048 1.078090
H -1.690272 2.896965 1.860409
H -1.096423 -0.217821 -2.286021
H -2.407959 -4.532721 1.158902
H -3.734561 -3.566085 1.865470
H -4.082612 -4.757731 0.576209
H -1.692331 -4.098404 -1.340013
H -2.519053 -2.836286 -2.285955
H -3.401986 -4.323969 -1.818548
H 1.933796 -0.180629 2.487239
H 3.271135 0.978083 2.085678
H 3.769395 -1.312622 1.265339
H 3.412835 0.037400 -1.314460
H 0.576381 -1.313434 -1.361708
H 6.765025 0.580539 -1.524200
H 6.097269 2.168706 -1.092951
H 5.221054 1.122131 -2.262313


