%chk=000049055.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049055

0 1
 S    5.512400       1.207600      0.3540000    
 O  -0.8848000     -4.3200001E-02 -0.8694000    
 O  -0.6622000      -1.527600      0.8759000    
 N   -4.517900      0.1797000     -0.2883000    
 C   -3.098800      0.5048000     -0.1485000    
 C   -4.764000      -1.210200      9.3699999E-02
 C   -5.331700       1.084600      0.5226000    
 C   -2.251000     -0.4049000      -1.023300    
 C   -6.223400      -1.583700     -0.1035000    
 C   -5.088700       2.534400      0.1389000    
 C  -0.2046000     -0.6833000      0.1215000    
 C    1.204000     -0.2174000      0.1789000    
 C    1.859600     -0.2240000       1.392900    
 C    1.813600      0.2077000     -0.9837000    
 C    3.821600      0.6484000      0.2852000    
 C    3.183000      0.2138000       1.446700    
 C    3.136900      0.6454000     -0.9300000    
 C    6.331300      4.6999998E-02 -0.7760000    
 C    6.164500      -1.379400     -0.2876000    
 H   -2.771700      0.4393000      0.8978000    
 H   -2.878300       1.526800     -0.4761000    
 H   -4.223600      -1.905900     -0.5522000    
 H   -4.462700      -1.413500       1.129000    
 H   -5.146900      0.9524000       1.596200    
 H   -6.397500      0.9068000      0.3460000    
 H   -2.506500     -0.2601000      -2.079500    
 H   -2.351300      -1.473200     -0.8192000    
 H   -6.872800      -1.154800      0.6657000    
 H   -6.591100      -1.280600      -1.089900    
 H   -6.337000      -2.671700     -3.4000002E-02
 H   -4.137700       2.916400      0.5229000    
 H   -5.122300       2.680700     -0.9463000    
 H   -5.872800       3.163900      0.5753000    
 H    1.372000     -0.5570000       2.304300    
 H    1.306600      0.2039000      -1.943900    
 H    3.700700      0.2091000       2.402800    
 H    3.612400      0.9841000      -1.847000    
 H    7.395000      0.3033000     -0.8080000    
 H    5.936600      0.1585000      -1.790400    
 H    6.747000      -2.053500     -0.9253000    
 H    5.125700      -1.720000     -0.3333000    
 H    6.530600      -1.503900      0.7373000    


%chk=000049055-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049055

0 1
S 5.768656 -0.197801 1.178945
O -0.848085 -0.356655 -0.623333
O -0.963464 -1.740602 1.256879
N -4.537279 0.291997 -0.068491
C -3.080922 0.546878 0.031425
C -5.021598 -0.666085 0.964324
C -5.361898 1.522510 -0.178852
C -2.322139 -0.509256 -0.795739
C -6.264356 -1.457858 0.515959
C -5.259287 2.188224 -1.564448
C -0.285459 -1.025134 0.473435
C 1.178633 -0.792121 0.578876
C 1.889250 -1.421446 1.636196
C 1.885550 0.032750 -0.332965
C 3.978985 -0.402712 0.861876
C 3.274076 -1.233030 1.776140
C 3.273683 0.227364 -0.194675
C 6.406555 0.675579 -0.377930
C 6.468160 -0.241409 -1.608052
H -2.718666 0.517368 1.084392
H -2.848327 1.550739 -0.365511
H -4.201097 -1.377243 1.173641
H -5.233614 -0.142624 1.930600
H -5.101275 2.264467 0.618021
H -6.414869 1.235069 -0.005211
H -2.496488 -0.368306 -1.872977
H -2.615105 -1.528264 -0.489889
H -7.127030 -0.796562 0.315619
H -6.044408 -2.018878 -0.409049
H -6.567764 -2.174202 1.302185
H -4.225032 2.505096 -1.792983
H -5.579391 1.480604 -2.348977
H -5.901870 3.087412 -1.611551
H 1.336596 -2.058120 2.334761
H 1.338439 0.518145 -1.145858
H 3.814199 -1.727502 2.590902
H 3.790670 0.875807 -0.908283
H 7.412998 1.012026 -0.075331
H 5.791052 1.575588 -0.545956
H 6.866514 0.314459 -2.478553
H 5.471303 -0.630375 -1.877699
H 7.128303 -1.105197 -1.419662


