%chk=000084076.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084076

0 1
 S    5.462600       1.639700      4.7899999E-02
 O  -0.9061000       2.091700       1.317500    
 O   -3.605600       2.335900      0.9357000    
 O   -4.842200       1.007500      -1.149700    
 O    4.040800     -0.1042000       2.063400    
 O  -0.5859000      -4.552400      0.4778000    
 N  -0.5104000      -2.226500      0.5119000    
 C   0.5335000      -2.050200     -0.4771000    
 C  -1.1000000E-02  -2.165000      -1.919000    
 C  -0.5597000     -0.8992000      -2.590400    
 C    1.340200     -0.7990000     -0.1268000    
 C   -1.365300     -2.2100000E-02  -1.669000    
 C  -0.7284000      0.6613000     -0.6123000    
 C   0.7417000      0.5125000     -0.4209000    
 C   -1.490900       1.449800      0.2630000    
 C   -2.749900      0.1064000      -1.837800    
 C    2.511600     -0.9760000      0.5130000    
 C    1.441000       1.642100     -0.6466000    
 C   -2.868600       1.569300      8.1699997E-02
 C   -3.496100      0.9006000     -0.9672000    
 C    3.462500      5.7100002E-02  0.9914000    
 C  -0.9772000      -3.467800      0.9011000    
 C    2.870500       1.831800     -0.6521000    
 C    3.783900       1.188800      8.5000001E-02
 C   -2.042800      -3.365800       1.959300    
 C  -0.8384000       1.378400       2.548700    
 C   -4.637200       1.678700       1.667600    
 C    6.027300      0.5767000      -1.296100    
 H    1.186400      -2.927600     -0.3619000    
 H  -0.7955000      -2.933400      -1.943600    
 H   0.7933000      -2.544700      -2.563700    
 H   -1.161700      -1.194400      -3.459300    
 H   0.2666000     -0.3099000      -3.009500    
 H  -0.9231000      -1.405000      0.9436000    
 H   -3.244900     -0.4220000      -2.649400    
 H    2.822000      -1.984500      0.7826000    
 H   0.9099000       2.555300     -0.9198000    
 H    3.189700       2.657200      -1.288200    
 H   -2.503300      -4.345200       2.114600    
 H   -1.595200      -3.025800       2.897200    
 H   -2.817900      -2.659300       1.648100    
 H   -5.101700      0.4747000      -1.920900    
 H  -0.2133000      0.4861000       2.448100    
 H   -1.838200       1.095600       2.892300    
 H  -0.3867000       2.034000       3.298300    
 H   -4.425000      0.6143000       1.819100    
 H   -5.597200       1.807100       1.159800    
 H   -4.708200       2.154400       2.650200    
 H    5.500900      0.8151000      -2.224500    
 H    5.864400     -0.4763000      -1.049600    
 H    7.097600      0.7334000      -1.455000    


%chk=000084076-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084076

0 1
S 5.506426 1.831589 0.001418
O -0.868808 1.789776 1.398453
O -3.656180 2.290648 1.006216
O -4.971617 1.058110 -1.165297
O 4.978819 -1.200205 0.045764
O 0.112097 -4.367577 1.216504
N -0.637424 -2.313749 0.402814
C 0.388035 -2.228450 -0.658775
C -0.215724 -2.324067 -2.095482
C -0.655188 -0.962852 -2.702602
C 1.304649 -0.994704 -0.489132
C -1.456233 -0.125761 -1.722558
C -0.796244 0.463959 -0.603604
C 0.693498 0.327252 -0.445711
C -1.574632 1.220405 0.335715
C -2.845731 0.044845 -1.895264
C 2.660255 -1.297721 -0.377328
C 1.406493 1.524876 -0.295336
C -2.978413 1.405595 0.150406
C -3.597977 0.813170 -0.983167
C 3.899627 -0.533246 -0.171609
C -0.684253 -3.382029 1.288264
C 2.805455 1.794008 -0.218583
C 3.918672 0.950008 -0.195317
C -1.766305 -3.288711 2.362019
C -1.481586 1.907896 2.736841
C -4.877628 1.789189 1.675926
C 6.778934 0.831990 -0.973540
H 0.993990 -3.137420 -0.499182
H -1.073031 -3.021401 -2.049330
H 0.540742 -2.777489 -2.764309
H -1.243210 -1.150652 -3.619390
H 0.249603 -0.404192 -3.009022
H -1.296671 -1.540660 0.504484
H -3.340192 -0.409288 -2.763803
H 2.908518 -2.369084 -0.381114
H 0.789098 2.429786 -0.271660
H 3.042884 2.867158 -0.194269
H -2.384412 -4.202079 2.332388
H -1.282786 -3.253382 3.353974
H -2.421073 -2.406290 2.250559
H -5.278006 0.681288 -2.027064
H -2.047605 0.992047 2.995349
H -2.145310 2.783761 2.787118
H -0.624369 2.019626 3.419039
H -4.634549 0.922799 2.323063
H -5.641136 1.507869 0.933769
H -5.229434 2.630610 2.291747
H 6.513081 0.837029 -2.041076
H 6.803875 -0.189650 -0.576043
H 7.729775 1.364571 -0.813763


