%chk=000124349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124349

0 1
 S    2.860900      0.3637000      0.2675000    
 O  -0.1379000     -0.3617000      0.4970000    
 O   -1.340900      -3.320600      0.7990000    
 O   0.4239000      -3.436000      -1.275800    
 O    6.086700      -1.058800      0.4730000    
 O    7.787800      0.1779000     -0.3727000    
 N   -2.421600      2.0500001E-02 -2.5699999E-02
 N   -4.319300     -0.4644000       1.382000    
 N   -6.276900      0.8785000      0.8416000    
 N   -6.278600       2.499500     -0.9111000    
 N    6.967000       2.276900       1.215000    
 C   -1.426200      -2.274500     -0.1673000    
 C  -0.1542000      -2.180600     -0.9889000    
 C   -1.465800     -0.9255000      0.5527000    
 C   0.7390000      -1.328200     -0.1044000    
 C    1.843200     -0.6170000     -0.8657000    
 C   -3.719800      0.2033000      0.3810000    
 C   -2.152800      0.8714000      -1.070800    
 C   -4.288800       1.187400     -0.4179000    
 C   -3.290100       1.604700      -1.334500    
 C    4.024700       1.042000     -0.9384000    
 C    5.079300       1.957400     -0.3095000    
 C   -5.617800       1.515600     -0.1538000    
 C    5.957700       1.310300      0.7710000    
 C   -5.596100     -5.9200000E-02   1.538300    
 C    6.716700      0.1172000      0.2181000    
 H   -2.308100      -2.480800     -0.7810000    
 H  -0.3625000      -1.659800      -1.931500    
 H   -1.723900      -1.029900       1.612900    
 H    1.177800      -1.941700      0.6943000    
 H    1.413200      6.6200003E-02  -1.605900    
 H    2.478400      -1.344400      -1.381100    
 H  -0.5796000      -3.147000       1.377400    
 H   -1.183000      0.8888000      -1.549200    
 H  -0.2444000      -3.963900      -1.745000    
 H   -3.382800       2.356400      -2.106200    
 H    3.458700       1.619400      -1.677600    
 H    4.511400      0.2182000      -1.470300    
 H    4.580100       2.842100      0.1090000    
 H    5.717200       2.326100      -1.125100    
 H    5.376300       1.003400       1.646100    
 H   -6.152400     -0.5511000       2.328900    
 H   -7.242800       2.717200     -0.6989000    
 H   -5.799700       2.983100      -1.658400    
 H    6.504500       3.104400       1.590100    
 H    7.504200       1.879700       1.985200    
 H    6.587600      -1.825500      0.1218000    


%chk=000124349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124349

0 1
S 2.809901 0.438929 -3.010979
O 0.726116 0.203137 -0.445793
O 1.168036 -2.177972 1.626820
O 0.906834 -3.439018 -0.704775
O 3.390615 -0.588257 1.018486
O 2.601269 1.295646 2.106021
N -1.240478 0.498473 0.920540
N -2.685714 -0.925418 -0.492909
N -4.961386 -0.058731 -0.763320
N -5.715039 1.932249 0.210441
N 4.306571 2.858282 0.507426
C 0.003011 -1.720302 0.835225
C 0.243993 -2.123605 -0.649405
C 0.046359 -0.177327 0.827125
C 1.238612 -1.031978 -1.098361
C 1.421566 -0.800001 -2.586385
C -2.441363 0.179171 0.277534
C -1.416148 1.721258 1.601506
C -3.385773 1.210310 0.585104
C -2.716930 2.179514 1.423901
C 4.275140 -0.164928 -1.933676
C 4.800256 0.911252 -0.956957
C -4.687794 1.038647 0.017398
C 3.758930 1.595003 -0.038439
C -3.961990 -0.965690 -0.971829
C 3.220918 0.781888 1.136520
H -0.929529 -2.128450 1.257619
H -0.709967 -2.094102 -1.201936
H 0.658513 0.186460 1.672418
H 2.211929 -1.293899 -0.646717
H 0.521758 -0.356260 -3.045236
H 1.656979 -1.760455 -3.076478
H 1.419635 -3.061676 1.230133
H -0.582909 2.157944 2.150240
H 0.257499 -4.133172 -0.974518
H -3.121425 3.096345 1.849211
H 5.070598 -0.450212 -2.641892
H 3.953073 -1.068662 -1.395647
H 5.271396 1.722945 -1.545436
H 5.603359 0.466216 -0.339398
H 2.842811 1.751287 -0.664039
H -4.221669 -1.824549 -1.598257
H -6.609941 1.735544 -0.233778
H -5.595576 2.771909 0.769215
H 4.404631 3.590314 -0.203031
H 3.788153 3.182545 1.332360
H 2.735471 -1.099905 1.599148


