%chk=000056848.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056848

0 1
 S    3.441100       1.215600      0.8963000    
 O    2.684000       1.510100      -2.106100    
 O    4.697200      0.9399000      0.2266000    
 O    3.407600       1.508000       2.316100    
 O    1.431600      -4.761700      -1.690800    
 N    2.601300       2.441400      4.7100000E-02
 N   0.6992000      0.7440000       1.988800    
 N   4.1000001E-02  -3.520500     -0.2490000    
 C   -2.051800       2.747200     -0.6890000    
 C   -3.011300       1.571500     -0.8948000    
 C  -0.7153000       2.572800      -1.413900    
 C   -4.338300       1.729200     -0.1483000    
 C   0.2094000       3.770300      -1.168600    
 C   -5.246800      0.5186000     -0.3794000    
 C    1.565300       3.620300      -1.858900    
 C   -6.604200      0.6378000      0.3170000    
 C    2.322600       2.412200      -1.357500    
 C   -7.519500     -0.5514000      6.9799997E-02
 C    2.385300     -0.1700000      0.5917000    
 C    1.125600     -0.2441000       1.179600    
 C   0.3282000      -1.373500      0.8997000    
 C    2.859800      -1.176600     -0.2530000    
 C   0.8052000      -2.386300      5.0400000E-02
 C    2.069100      -2.286400     -0.5240000    
 C  -0.9402000      -1.448400       1.490900    
 C   -1.382500     -0.4318000       2.325100    
 C  -0.5313000      0.6334000       2.539600    
 C   0.3857000      -4.597900      -1.071000    
 C  -0.7182000      -5.623500      -1.134400    
 H   -2.535400       3.668600      -1.036000    
 H   -1.866200       2.871900      0.3850000    
 H   -3.210700       1.458200      -1.967700    
 H   -2.519700      0.6475000     -0.5670000    
 H  -0.8924000       2.459600      -2.490100    
 H  -0.2423000       1.647900      -1.065700    
 H   -4.146300       1.844500      0.9250000    
 H   -4.844100       2.640800     -0.4880000    
 H   0.3374000       3.918400     -9.0400003E-02
 H  -0.2729000       4.679100      -1.549700    
 H   -4.740000     -0.3878000     -2.5000000E-02
 H   -5.409400      0.3895000      -1.456700    
 H    1.429500       3.523700      -2.942000    
 H    2.179900       4.509800      -1.681400    
 H   -7.109300       1.548800     -2.5800001E-02
 H   -6.449100      0.7478000       1.397000    
 H   -8.472200     -0.4132000      0.5905000    
 H   -7.062600      -1.477200      0.4337000    
 H   -7.727900     -0.6679000     -0.9984000    
 H    2.228900       3.215400      0.6107000    
 H    3.840200      -1.122800     -0.7167000    
 H    2.515800      -3.011500      -1.186600    
 H   -1.623200      -2.276100       1.332900    
 H  -0.8779000      -3.581800      0.1750000    
 H   -2.361200     -0.4714000       2.788700    
 H  -0.8238000       1.458700       3.180300    
 H   -1.631700      -5.162700      -1.520900    
 H  -0.9062000      -6.027100     -0.1354000    
 H  -0.4261000      -6.441600      -1.798700    


%chk=000056848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056848

0 1
S 3.537073 1.157554 0.810497
O 2.475050 1.582891 -2.119478
O 4.952720 0.927052 0.061037
O 3.533424 1.598163 2.369262
O 2.002880 -5.305575 -1.412492
N 2.608795 2.537971 -0.000023
N 0.602612 0.575361 1.623033
N 0.429181 -4.011821 -0.234463
C -2.236844 3.046112 -0.614405
C -3.209038 1.864556 -0.829546
C -0.866374 2.835493 -1.295482
C -4.582093 2.066851 -0.149515
C 0.112876 4.003964 -1.049664
C -5.538427 0.866693 -0.331412
C 1.481865 3.819332 -1.759520
C -6.918251 1.074810 0.334196
C 2.228379 2.544251 -1.339261
C -7.864836 -0.131446 0.153021
C 2.502772 -0.381036 0.454006
C 1.174560 -0.495527 0.956691
C 0.472449 -1.746357 0.720058
C 3.127214 -1.388833 -0.265454
C 1.137399 -2.803862 -0.021208
C 2.443173 -2.610258 -0.506913
C -0.855062 -1.837227 1.251335
C -1.415045 -0.761069 1.942725
C -0.647522 0.433883 2.097625
C 0.859881 -5.178418 -0.892904
C -0.175436 -6.298499 -0.929715
H -2.701362 3.979195 -0.996749
H -2.083636 3.199838 0.475087
H -3.358950 1.705767 -1.917803
H -2.741635 0.934267 -0.442977
H -1.010542 2.702277 -2.387353
H -0.415128 1.893644 -0.924459
H -4.431369 2.254420 0.934903
H -5.061715 2.981397 -0.556583
H 0.260265 4.134992 0.042374
H -0.338079 4.947797 -1.415705
H -5.064617 -0.047438 0.086430
H -5.681974 0.672030 -1.414927
H 1.332221 3.736235 -2.850106
H 2.127243 4.698190 -1.568643
H -7.391027 1.984208 -0.089326
H -6.775258 1.275814 1.415889
H -8.842438 0.043329 0.638711
H -7.428254 -1.048303 0.593087
H -8.051561 -0.331319 -0.919035
H 2.330543 3.251825 0.682274
H 4.141054 -1.230297 -0.646773
H 2.925393 -3.409768 -1.070322
H -1.460567 -2.743378 1.131496
H -0.520258 -4.053177 0.135876
H -2.425173 -0.819284 2.358033
H -1.067861 1.299255 2.622896
H -1.138537 -6.041599 -0.455283
H 0.241724 -7.187308 -0.425725
H -0.360975 -6.578318 -1.980715


