%chk=000032778.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032778

0 1
 S   -1.217400       3.832200      0.4168000    
 O    1.105400       2.016500       1.392200    
 O  -0.9420000       4.004700       1.830100    
 O   -1.779600       4.919600     -0.3606000    
 O   -1.697100      -2.204100      -2.009900    
 O   0.1046000      -4.169900       1.634100    
 N    3.230500       1.284900     -0.2238000    
 N    2.190100       2.095900     -0.6499000    
 N   0.1841000       3.245500     -0.3664000    
 N   -3.172000      -2.589800     -0.2795000    
 N   -1.108600      -3.686400       1.159200    
 C    6.182300      0.1503000     -0.7109000    
 C    5.447300      -1.167000     -0.4976000    
 C    5.727200       1.290100      0.1922000    
 C    3.950900      -1.088600     -0.2134000    
 C    4.491000       2.020700     -0.3409000    
 C    3.193700      1.3500000E-02 -0.9527000    
 C    1.177400       2.404000      0.2294000    
 C   -2.309100       2.454400      0.2334000    
 C   -4.033600      0.2806000     -5.4200001E-02
 C   -4.954500     -0.8824000     -0.2083000    
 C   -2.343800       1.457900       1.208800    
 C   -3.136600       2.364000     -0.8859000    
 C   -4.327900      -2.065600     -0.9563000    
 C   -3.206000      0.3711000       1.065000    
 C   -3.998800       1.277000      -1.029700    
 C   -1.911000      -2.620700     -0.8720000    
 C  -0.8393000      -3.217300     -6.2399998E-02
 C   0.5136000      -3.376000     -0.4088000    
 C    1.062800      -3.979400      0.6914000    
 C    2.416500      -4.435700       1.030500    
 H    6.096500      0.4529000      -1.762000    
 H    7.251100     -3.1700000E-02 -0.5409000    
 H    5.920000      -1.711100      0.3302000    
 H    5.608300      -1.789900      -1.387100    
 H    5.565000      0.9403000       1.218700    
 H    6.542200       2.023700      0.2426000    
 H    3.513500      -2.056100     -0.4876000    
 H    3.786700     -0.9912000      0.8679000    
 H    4.399700       2.948200      0.2412000    
 H    4.667000       2.328000      -1.381100    
 H    2.148700     -0.3229000      -1.010200    
 H    3.538400      0.1191000      -1.989100    
 H    2.194500       2.439600      -1.605100    
 H   0.3422000       3.557300      -1.333000    
 H   -5.290700      -1.213300      0.7835000    
 H   -5.864800     -0.5675000     -0.7345000    
 H   -1.705700       1.506500       2.086400    
 H   -3.120500       3.124200      -1.661600    
 H   -4.074200      -1.774300      -1.981200    
 H   -5.056300      -2.881500      -1.016400    
 H   -3.222600     -0.3977000       1.833100    
 H   -4.635700       1.215700      -1.908200    
 H   -3.295600      -2.982300      0.6496000    
 H    1.018700      -3.094200      -1.321100    
 H    2.899400      -3.727500       1.710600    
 H    2.387200      -5.414900       1.518500    
 H    3.037700      -4.526600      0.1341000    


%chk=000032778-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032778

0 1
S -1.313837 3.610703 1.188909
O 0.666726 1.184566 1.280699
O -1.228764 3.517526 2.798880
O -1.744788 5.000534 0.459845
O -0.605591 -1.154107 -1.398331
O 0.313133 -4.047668 2.103936
N 2.973485 0.920490 -0.405535
N 2.138089 2.072268 -0.342546
N 0.315303 3.321017 0.381656
N -2.318285 -2.648897 -0.829931
N -0.589363 -3.874207 0.972084
C 5.653568 -0.419446 -1.655724
C 4.652983 -1.546189 -2.030579
C 5.428195 0.214844 -0.260195
C 3.204594 -1.338951 -1.519831
C 4.390258 1.357791 -0.246795
C 2.638800 0.094852 -1.615587
C 1.032826 2.111210 0.507951
C -2.326985 2.176401 0.517611
C -3.740566 0.018950 -0.533157
C -4.369894 -1.213913 -1.156635
C -2.513051 1.055694 1.337208
C -2.851254 2.303400 -0.778110
C -3.291290 -2.147722 -1.804101
C -3.243961 -0.023650 0.796301
C -3.559154 1.200212 -1.299422
C -1.069247 -2.076931 -0.659734
C -0.305637 -2.629143 0.507045
C 0.720247 -1.966661 1.262633
C 1.082076 -2.870258 2.246614
C 2.063448 -2.849910 3.371696
H 5.605569 0.391142 -2.411990
H 6.681368 -0.827300 -1.717097
H 5.021166 -2.511480 -1.629169
H 4.646051 -1.655860 -3.133562
H 5.146758 -0.554081 0.484477
H 6.380487 0.660253 0.089224
H 2.528417 -2.007365 -2.086501
H 3.118059 -1.648736 -0.462097
H 4.439196 1.897973 0.715647
H 4.672741 2.085489 -1.053494
H 1.537827 0.029598 -1.643145
H 2.984495 0.596047 -2.554810
H 2.229175 2.787732 -1.080522
H 0.702659 4.188679 -0.005110
H -4.932418 -1.792049 -0.399094
H -5.084814 -0.931519 -1.952696
H -2.083532 1.024381 2.342217
H -2.710497 3.224139 -1.353044
H -2.727235 -1.589775 -2.571029
H -3.796177 -3.001983 -2.291811
H -3.406291 -0.917278 1.408561
H -3.959073 1.253219 -2.318575
H -2.572770 -3.411464 -0.194739
H 1.068364 -0.942433 1.122009
H 1.566737 -3.048815 4.338069
H 2.847045 -3.617445 3.235445
H 2.545424 -1.861077 3.423179


