%chk=000006833.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006833

0 1
 S   -3.197300     -5.3500000E-02   1.083500    
 S  -0.7151000      -2.373300      -1.317400    
 N    2.459900       1.312800     -5.7799999E-02
 C    1.579400      0.5532000     -0.9520000    
 C    3.856300      0.9598000     -0.3020000    
 C    2.102300       1.064300       1.336600    
 C   0.1336000      0.9189000     -0.6990000    
 C    1.952600      0.8323000      -2.407900    
 C  -0.8709000      0.1155000     -0.2788000    
 C    4.111200     -0.5085000     -6.5000001E-03
 C    2.965800       1.885200       2.279400    
 C   -2.192200      0.6493000     -9.3699999E-02
 C  -0.5601000      -1.270800     -3.5399999E-02
 C   -2.773800       1.684300     -0.7606000    
 C  -0.1437000      -1.834900       1.128900    
 C   -4.099300       1.918700     -0.2935000    
 C   6.1200000E-02  -3.236400      0.9743000    
 C   -4.456800       1.044400      0.7090000    
 C  -0.2130000      -3.661300     -0.3070000    
 H    1.696400     -0.5206000     -0.7967000    
 H    4.171900       1.200600      -1.322500    
 H    4.529000       1.577200      0.3039000    
 H    1.080800       1.413000       1.529300    
 H    2.119000      9.9999998E-03   1.628700    
 H  -7.8299999E-02   1.974400     -0.8764000    
 H    2.073800       1.904600      -2.602800    
 H    2.866600      0.3142000      -2.715300    
 H    1.164100      0.4735000      -3.081300    
 H    3.918400     -0.8004000       1.028400    
 H    3.594300      -1.197100     -0.6792000    
 H    5.179900     -0.7028000     -0.1651000    
 H    3.977900       1.482300       2.381100    
 H    3.029600       2.932600       1.964400    
 H    2.524500       1.875300       3.282700    
 H   -2.310500       2.258900      -1.552900    
 H   9.8000001E-03  -1.297400       2.056200    
 H   -4.758100       2.687800     -0.6753000    
 H   0.3920000      -3.899300       1.763200    
 H   -5.397700      0.9973000       1.238900    
 H  -0.1425000      -4.666500     -0.6981000    


%chk=000006833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006833

0 1
S -3.548834 -0.083885 0.909916
S -1.730054 -2.629710 -1.031960
N 2.536792 1.258902 0.093602
C 1.607233 0.437133 -0.751411
C 3.966661 1.209925 -0.311978
C 2.313305 1.026254 1.546882
C 0.174861 0.830336 -0.434317
C 1.830563 0.695624 -2.266235
C -0.908302 0.006863 -0.221652
C 4.677132 -0.168534 -0.203274
C 3.011710 2.058144 2.451662
C -2.261056 0.596618 -0.183960
C -0.769772 -1.454266 -0.020924
C -2.750767 1.715207 -0.857763
C 0.033763 -2.149690 0.877764
C -4.109182 2.058774 -0.529263
C -0.081262 -3.583528 0.795769
C -4.684921 1.202464 0.397400
C -0.976038 -4.008419 -0.173695
H 1.742444 -0.653822 -0.569964
H 4.043122 1.577885 -1.350154
H 4.510918 1.947464 0.304921
H 1.221960 1.094461 1.714852
H 2.615893 -0.006380 1.862958
H 0.004126 1.916715 -0.455686
H 1.776727 1.777698 -2.485062
H 2.808750 0.314355 -2.609351
H 1.047733 0.178756 -2.847778
H 4.692010 -0.541490 0.836896
H 4.183993 -0.932982 -0.831525
H 5.726156 -0.079948 -0.542379
H 4.111266 1.950107 2.451255
H 2.763350 3.082933 2.122580
H 2.669065 1.934268 3.495494
H -2.154081 2.256461 -1.596281
H 0.672517 -1.635483 1.600094
H -4.644866 2.899410 -0.977052
H 0.472204 -4.271457 1.439451
H -5.692522 1.213001 0.809409
H -1.261592 -5.022563 -0.447941


