%chk=000001908.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001908

0 1
 S   -5.814500     -6.1500002E-02 -5.7100002E-02
 O    3.404900      -2.724800     -0.2175000    
 O    5.688200       1.363200      0.1315000    
 O   -6.267800      0.6050000       1.365400    
 O   -6.273800      0.8326000      -1.110100    
 O   -6.211600      -1.460900     -4.6799999E-02
 N    3.361400       1.400200      0.1193000    
 N   0.9097000      -1.091900     -0.1009000    
 N    4.574500     -0.6898000     -4.3400001E-02
 N   0.9155000       1.130100      8.0700003E-02
 C    2.221600     -0.7151000     -6.1999999E-02
 C    2.196600      0.6483000      4.9500000E-02
 C   0.1620000      5.3800002E-02 -1.2000000E-02
 C    3.411200      -1.501200     -0.1177000    
 C   -1.280800      2.6100000E-02 -2.2900000E-02
 C    4.618300      0.7465000      7.3799998E-02
 C    3.292500       2.851400      0.2383000    
 C   -1.994000       1.104300     -0.5451000    
 C   -1.960000      -1.079000      0.4887000    
 C    5.858300      -1.381500     -9.0400003E-02
 C   -4.068900     -2.7500000E-02 -4.3900002E-02
 C   -3.388700       1.077500     -0.5555000    
 C   -3.354600      -1.105800      0.4782000    
 H   0.5661000      -2.039000     -0.1927000    
 H    4.287900       3.300600      0.2816000    
 H    2.749800       3.106900       1.153700    
 H    2.760900       3.253800     -0.6295000    
 H   -1.483400       1.974700     -0.9502000    
 H   -1.434200      -1.928900      0.9164000    
 H    5.752600      -2.465000     -0.1785000    
 H    6.415700      -1.145800      0.8218000    
 H    6.427600      -1.003300     -0.9456000    
 H   -3.924400       1.931000     -0.9612000    
 H   -3.862700      -1.972300      0.8919000    
 H   -5.992100       1.542200       1.500000    


%chk=000001908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001908

0 1
S -5.931981 0.182222 -0.093288
O 3.595833 -2.794539 0.312036
O 5.767036 1.378635 -0.117966
O -6.137132 0.376680 1.744096
O -6.423594 1.544366 -0.814113
O -6.536632 -1.252334 -0.533385
N 3.420476 1.382065 -0.137582
N 0.971961 -1.171391 0.111881
N 4.672065 -0.682889 0.095639
N 0.959892 1.092284 -0.127796
C 2.303965 -0.767551 0.080816
C 2.261174 0.629057 -0.067602
C 0.181632 -0.031643 -0.015662
C 3.518595 -1.535487 0.175440
C -1.282222 -0.018689 -0.027328
C 4.682349 0.737166 -0.057917
C 3.357623 2.848675 -0.295653
C -1.942362 1.237518 -0.144115
C -2.053769 -1.211305 0.066086
C 6.007786 -1.319684 0.178654
C -4.064478 0.106094 -0.055475
C -3.346940 1.309954 -0.156112
C -3.460779 -1.156586 0.055414
H 0.672084 -2.140322 0.216218
H 4.390376 3.224927 -0.318871
H 2.808391 3.296533 0.549236
H 2.838503 3.106293 -1.233950
H -1.331814 2.141399 -0.220534
H -1.573921 -2.192854 0.148288
H 5.848755 -2.400495 0.304797
H 6.569095 -0.908085 1.032911
H 6.580578 -1.118014 -0.741019
H -3.870301 2.265800 -0.254381
H -4.071209 -2.062643 0.115508
H -7.117232 0.459742 1.933528


