%chk=000047087.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047087

0 1
 S   -1.817100      -1.835800     -0.2053000    
 S   4.0100001E-02  -2.870700       1.860000    
 O   -3.112600       1.820700     -8.9500003E-02
 O   -4.335800     -0.1305000     -1.3200000E-02
 N   0.8735000      -1.925800     -0.5964000    
 C    2.237100      -1.555900     -0.2047000    
 C    2.383600     -6.8800002E-02 -1.9500000E-02
 C    2.753500      0.7211000      -1.099200    
 C    2.147100      0.4911000       1.228100    
 C   0.6717000      -1.973000      -2.046600    
 C  -0.1601000      -2.206900      0.3189000    
 C    2.889600       2.098700     -0.9275000    
 C    2.283100       1.868600       1.399700    
 C    2.654500       2.672400      0.3218000    
 C   -1.929100     -0.1313000      0.3894000    
 C   -3.275200      0.4721000      7.6899998E-02
 C   -4.303900       2.554100     -0.3929000    
 H    2.952700      -1.927200     -0.9488000    
 H    2.509500      -2.059200      0.7290000    
 H    2.940600      0.2847000      -2.076200    
 H    1.863600     -0.1211000       2.078300    
 H  -0.2204000      -2.547000      -2.308000    
 H    1.527000      -2.459100      -2.525600    
 H   0.5680000     -0.9518000      -2.423400    
 H    3.179000       2.724500      -1.766600    
 H    2.101200       2.315300       2.372800    
 H    2.760700       3.745000      0.4555000    
 H   -1.778500     -8.7600000E-02   1.472000    
 H   -1.145600      0.4506000     -0.1070000    
 H   -4.734200       2.203700      -1.335900    
 H   -4.035900       3.608500     -0.4996000    
 H   -5.026600       2.456100      0.4227000    


%chk=000047087-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047087

0 1
S -1.801331 -0.204802 -0.972031
S -0.495231 -0.750616 1.830594
O -5.418633 0.528471 0.649398
O -4.619196 0.679574 -1.536411
N 0.795755 -0.791463 -0.594811
C 2.065057 -1.208368 0.066531
C 3.130397 -0.119535 0.038903
C 4.401819 -0.365786 -0.534555
C 2.863752 1.153052 0.608363
C 0.850796 -0.616811 -2.064012
C -0.358551 -0.615754 0.127229
C 5.397160 0.639610 -0.537291
C 3.854615 2.157984 0.602630
C 5.124720 1.904674 0.030013
C -3.138673 -0.030522 0.332520
C -4.427808 0.425393 -0.327843
C -6.751474 0.971221 0.167057
H 2.431451 -2.119543 -0.444255
H 1.802064 -1.473397 1.106323
H 4.618134 -1.348058 -0.974243
H 1.882526 1.344046 1.058606
H 0.407718 0.349588 -2.362963
H 0.310572 -1.430019 -2.584440
H 1.905866 -0.620578 -2.377480
H 6.378023 0.436829 -0.981787
H 3.640956 3.136456 1.047309
H 5.893066 2.685881 0.027529
H -3.277658 -0.995653 0.844779
H -2.805231 0.692568 1.094797
H -6.676855 1.971412 -0.291432
H -7.380173 0.991778 1.067663
H -7.142529 0.257871 -0.577489


