%chk=000100462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100462

0 1
 S   -2.375800      -2.700700     -0.5656000    
 O    1.510700     -0.2307000       2.187300    
 O   -2.171100       2.960200     -0.8990000    
 O    3.637500       1.081900      0.6333000    
 O   -3.192200      0.9071000      -1.030200    
 O    5.409400       1.731100     -0.6757000    
 N  -0.1937000     -0.7409000      0.7170000    
 N   0.7829000       1.429300      0.7162000    
 N   -3.760800       2.640100      -2.464000    
 N    5.296600     -0.3939000      0.2482000    
 C   0.7615000      0.1338000       1.274500    
 C   -1.466000     -0.8945000       1.375900    
 C   0.1786000      -1.557000     -0.4127000    
 C  -9.0800002E-02   1.891900     -0.3606000    
 C    1.729800       2.412300       1.223900    
 C   -2.484500      -1.736800      0.9111000    
 C  -0.6954000      -2.448400      -1.048200    
 C   -1.373500       2.495000      0.1822000    
 C    3.044400       2.363200      0.4669000    
 C   -1.731400     -0.1424000       2.544500    
 C    1.497800      -1.473100     -0.9178000    
 C   -3.703400      -1.831300       1.612900    
 C  -0.2559000      -3.208900      -2.150600    
 C   -2.942300     -0.2418000       3.233700    
 C    1.925700      -2.231500      -2.009700    
 C   -3.930200      -1.092100       2.768900    
 C    1.045600      -3.101400      -2.629400    
 C   -3.057700       2.059000      -1.429800    
 C    4.839000      0.8836000      3.3000000E-03
 C   -4.773200       1.952000      -3.231500    
 C    6.538300     -0.9152000     -0.2751000    
 H  -0.3304000       1.066000      -1.035900    
 H   0.4464000       2.622300     -0.9777000    
 H    1.285200       3.411600       1.167100    
 H    1.917200       2.194900       2.281800    
 H   -1.941100       1.816400      0.8182000    
 H   -1.143200       3.365800      0.8062000    
 H    2.879200       2.551000     -0.6005000    
 H    3.719800       3.130000      0.8633000    
 H  -0.9955000      0.5424000       2.959700    
 H    2.234200     -0.8132000     -0.4720000    
 H   -4.499900      -2.483800       1.258700    
 H  -0.9297000      -3.901200      -2.652800    
 H   -3.106300      0.3478000       4.130800    
 H    2.946400      -2.138000      -2.368600    
 H   -4.875300      -1.176400       3.295900    
 H    1.367200      -3.695600      -3.478900    
 H   -3.556700       3.606600      -2.698600    
 H    4.725100      -1.005200      0.8233000    
 H   -4.887500      0.9169000      -2.901500    
 H   -4.478800       1.976200      -4.283500    
 H   -5.717500       2.487700      -3.107700    
 H    7.094400     -0.1475000     -0.8182000    
 H    6.303100      -1.746100     -0.9445000    
 H    7.134300      -1.283500      0.5633000    


%chk=000100462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100462

0 1
S -2.589197 -2.689616 0.018579
O 0.565585 0.707173 2.634091
O -2.941019 2.088916 -1.627902
O 3.083398 1.438961 0.227692
O -1.600074 4.016470 -1.919064
O 4.541206 1.680780 -1.617316
N -0.432368 -0.946540 1.244412
N 0.111433 1.222101 0.401939
N -3.310113 3.425856 -3.427667
N 5.034972 0.282727 0.215391
C 0.117667 0.362206 1.499667
C -1.216583 -1.630390 2.250509
C 0.032476 -1.704884 0.108891
C -0.821051 1.124892 -0.741130
C 0.906734 2.470384 0.484713
C -2.248652 -2.507114 1.818953
C -0.844197 -2.607302 -0.544400
C -2.173212 1.796689 -0.395860
C 2.165160 2.427424 -0.386515
C -0.994895 -1.473950 3.643532
C 1.368727 -1.585665 -0.350303
C -3.044647 -3.209584 2.746097
C -0.400708 -3.384509 -1.635104
C -1.819523 -2.148462 4.570561
C 1.801408 -2.333082 -1.465815
C -2.842436 -3.018019 4.131292
C 0.922457 -3.237000 -2.108470
C -2.532455 3.261484 -2.308453
C 4.266334 1.174445 -0.499111
C -3.135190 4.556753 -4.342562
C 6.341305 -0.174870 -0.264368
H -0.980062 0.081770 -1.046660
H -0.366626 1.657118 -1.594776
H 0.282662 3.319141 0.145312
H 1.180853 2.630201 1.539726
H -2.824920 1.123749 0.181990
H -2.004055 2.737560 0.157152
H 1.953102 2.130273 -1.429616
H 2.656642 3.417981 -0.402424
H -0.193654 -0.811558 3.975011
H 2.048665 -0.888615 0.149572
H -3.819443 -3.893271 2.383756
H -1.089333 -4.089583 -2.112123
H -1.646538 -2.001543 5.642168
H 2.829279 -2.214964 -1.825429
H -3.470537 -3.550215 4.853268
H 1.263599 -3.826003 -2.966123
H -4.033733 2.727043 -3.598923
H 4.690915 -0.001100 1.133498
H -2.306757 5.175654 -3.963407
H -4.047904 5.179020 -4.390202
H -2.882466 4.212243 -5.362237
H 6.516392 0.279566 -1.252504
H 6.368117 -1.275208 -0.368507
H 7.153763 0.139469 0.417000


