%chk=000077180.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077180

0 1
 S  -4.6599999E-02   2.217000     -0.1333000    
 O  -0.6477000       3.281100      0.6622000    
 O   0.3724000       2.511800      -1.498100    
 N    1.284200       1.574000      0.7520000    
 N    1.050500     -0.7814000       2.353200    
 C   -1.169500      0.8807000     -0.1696000    
 C    1.840800      0.3198000      0.3215000    
 C   -2.114700      0.7369000      0.8462000    
 C   -1.121700     -4.3200001E-02  -1.213500    
 C   -2.964000      -1.254600     -0.2257000    
 C    1.720500     -0.8201000       1.110000    
 C   -3.011900     -0.3309000      0.8181000    
 C   -2.019000      -1.110900      -1.241600    
 C    2.502500      0.2665000     -0.9013000    
 C    2.267300      -2.025800      0.6709000    
 C   -3.923600      -2.396000     -0.2563000    
 C    3.049100     -0.9393000      -1.340300    
 C    2.931600      -2.085400     -0.5543000    
 H    1.268200       1.720600       1.768900    
 H   -2.165500       1.439600       1.673100    
 H  -0.3976000      4.9500000E-02  -2.017700    
 H   -3.743500     -0.4323000       1.615400    
 H   -1.973200      -1.823000      -2.061300    
 H    2.621500       1.151500      -1.519400    
 H    2.182700      -2.926900       1.273300    
 H   -3.479400      -3.272600     -0.7402000    
 H   -4.208900      -2.699900      0.7566000    
 H   -4.827200      -2.112500     -0.8051000    
 H    3.569900     -0.9850000      -2.292400    
 H    3.358000      -3.024100     -0.8958000    
 H   0.9617000      -1.626000       2.902500    
 H   0.5910000      6.4400002E-02   2.660700    


%chk=000077180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077180

0 1
S -0.083150 2.136405 -0.198217
O -0.612003 3.350791 0.750319
O 0.373598 2.332044 -1.742011
N 1.393509 1.487628 0.726356
N 1.048120 -1.005612 2.102511
C -1.396092 0.769785 -0.183439
C 2.092404 0.326980 0.320062
C -2.357709 0.793242 0.840473
C -1.361510 -0.206556 -1.191915
C -3.329582 -1.256022 -0.132736
C 1.922296 -0.920381 1.021670
C -3.327633 -0.233296 0.854324
C -2.338190 -1.226759 -1.149537
C 2.955598 0.390333 -0.804912
C 2.687230 -2.046711 0.604378
C -4.397487 -2.334792 -0.125167
C 3.674922 -0.743301 -1.230846
C 3.545739 -1.956753 -0.508090
H 1.358737 1.828286 1.693709
H -2.362886 1.605570 1.575485
H -0.610392 -0.159670 -1.986655
H -4.098360 -0.234640 1.633878
H -2.333126 -2.005319 -1.920927
H 3.047972 1.351050 -1.320390
H 2.584346 -2.996363 1.143993
H -4.025865 -3.277850 -0.562123
H -4.755364 -2.546699 0.897385
H -5.275680 -2.020361 -0.721597
H 4.338761 -0.681710 -2.098625
H 4.115153 -2.840547 -0.817976
H 0.914417 -1.890605 2.583429
H 0.370129 -0.264665 2.265892


