%chk=000106080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106080

0 1
 S    2.912000     -0.2731000       2.164900    
 O   -7.045900      -3.574700     -0.3247000    
 O    8.934500      0.2633000     -0.6006000    
 O    7.612300      0.5380000      -2.331300    
 N   -5.308900     -0.3447000     -0.1048000    
 N   0.2784000     -0.4516000     -0.4366000    
 N    2.915500      0.1522000     -0.3790000    
 N   0.7786000     -4.7100000E-02  0.6390000    
 N    7.788600      0.3359000      -1.105700    
 N   -7.565500       3.950400      1.9300001E-02
 C   -6.039200      -1.505700      0.3643000    
 C   -6.044900      0.8403000     -0.4986000    
 C   -3.901700     -0.3726000     -0.1898000    
 C   -6.361300      -2.423600     -0.8025000    
 C   -6.223100       1.787500      0.6834000    
 C   -3.209000      0.7451000     -0.6553000    
 C   -3.202000      -1.516800      0.1930000    
 C   -1.816800      0.7186000     -0.7380000    
 C   -1.809800      -1.543500      0.1106000    
 C   -1.124500     -0.4255000     -0.3545000    
 C    4.242600      0.1034000      2.2000000E-02
 C    4.443400     -0.1222000       1.387200    
 C    5.371200      0.2581000     -0.8123000    
 C   -6.973500       2.996000      0.3110000    
 C    6.654600      0.1839000     -0.2636000    
 C    5.729700     -0.1980000       1.945100    
 C    2.135200     -3.2299999E-02  0.6601000    
 C    6.829400     -4.1400000E-02   1.097400    
 H   -5.558700      -2.035000       1.194600    
 H   -6.992400      -1.183600      0.8073000    
 H   -7.046300      0.5353000     -0.8364000    
 H   -5.632000       1.340500      -1.382100    
 H   -7.001000      -1.919500      -1.534900    
 H   -5.453400      -2.756900      -1.315200    
 H   -6.747300       1.274000       1.498500    
 H   -5.247100       2.083800       1.085000    
 H   -3.688300       1.671600     -0.9501000    
 H   -3.678700      -2.423800      0.5469000    
 H   -1.283900       1.594600      -1.098200    
 H   -1.271700      -2.440100      0.4068000    
 H    5.206100      0.4323000      -1.871900    
 H    5.873200     -0.3737000       3.006800    
 H   -7.237100      -4.134000      -1.096900    
 H    7.818600     -0.1035000       1.545700    


%chk=000106080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106080

0 1
S 3.137570 2.199494 0.345884
O -7.207841 -3.198401 -1.825119
O 9.152385 -0.932263 0.217389
O 7.720985 -2.696061 0.009871
N -5.429197 -0.394488 -0.128536
N 0.239857 -0.481732 -0.095183
N 3.084672 -0.504034 0.078639
N 0.885817 0.654248 0.135761
N 7.963641 -1.433944 0.135791
N -7.847983 3.351110 1.963184
C -6.196223 -1.640457 -0.333427
C -6.211556 0.832499 0.088993
C -4.032386 -0.386771 -0.114942
C -6.399842 -1.974722 -1.824556
C -6.392833 1.147783 1.611232
C -3.297185 0.824688 0.146704
C -3.279517 -1.584317 -0.360901
C -1.902703 0.837514 0.157903
C -1.882194 -1.565460 -0.339976
C -1.161912 -0.362043 -0.083654
C 4.428480 -0.128396 0.155582
C 4.681400 1.287310 0.298728
C 5.513046 -1.032512 0.102397
C -7.194168 2.362713 1.823769
C 6.811910 -0.502282 0.190321
C 5.997007 1.791387 0.384084
C 2.273786 0.538917 0.152679
C 7.072813 0.887910 0.329409
H -5.705914 -2.492588 0.167436
H -7.191340 -1.531916 0.133011
H -7.207072 0.700888 -0.368395
H -5.741775 1.693215 -0.417220
H -6.925974 -1.138289 -2.332335
H -5.420849 -2.129640 -2.322872
H -6.888544 0.293765 2.109621
H -5.404318 1.272937 2.090164
H -3.825932 1.762134 0.340726
H -3.787506 -2.528050 -0.572444
H -1.350824 1.761645 0.355124
H -1.303973 -2.476392 -0.525281
H 5.347266 -2.106593 -0.004436
H 6.186122 2.862969 0.491694
H -7.356253 -3.508744 -2.752501
H 8.108959 1.228867 0.391581


