%chk=000090339.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090339

0 1
 S    2.272100       1.640600      0.8196000    
 S    2.970100     -8.2699999E-02  -2.148200    
 P    2.635900     -0.1720000     -0.2214000    
 O    1.413400      -1.169500      0.1936000    
 O  -0.6454000       1.409000       2.287500    
 O  -0.5862000       1.221300      -2.341500    
 N  -0.2714000       1.571800     -3.2099999E-02
 C   0.9010000       2.423900     -5.0400000E-02
 C   -2.030900      0.3408000      0.6879000    
 C   -2.012200      0.2853000     -0.6980000    
 C    4.016300     -0.9129000      0.6922000    
 C  -0.9061000       1.167600       1.123600    
 C  -0.8752000       1.075900      -1.168300    
 C   -2.991900     -0.3123000       1.431800    
 C   -2.953600     -0.4261000      -1.413000    
 C    5.315700     -0.1646000      0.4821000    
 C    1.456100      -2.555200     -0.1004000    
 C   -3.956800      -1.039100      0.7286000    
 C   -3.937700      -1.095700     -0.6800000    
 C   0.1868000      -3.206000      0.4064000    
 H   0.6508000       3.352200      0.4721000    
 H    1.188100       2.660000      -1.078600    
 H    3.768300     -0.9417000       1.758700    
 H    4.169200      -1.945300      0.3638000    
 H   -3.006200     -0.2699000       2.514500    
 H   -2.938700     -0.4705000      -2.495500    
 H    6.110900     -0.6145000       1.085100    
 H    5.634300     -0.1972000     -0.5634000    
 H    5.226100      0.8854000      0.7731000    
 H    1.545000      -2.703500      -1.180100    
 H    2.311600      -3.019300      0.3949000    
 H   -4.733400      -1.569800       1.273300    
 H   -4.699800      -1.669100      -1.201300    
 H   0.1935000      -4.281800      0.2105000    
 H   7.1599998E-02  -3.042300       1.483000    
 H  -0.6909000      -2.766000     -7.7799998E-02


%chk=000090339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090339

0 1
S 1.779070 0.125789 1.397474
S 3.307150 0.309897 -1.969350
P 3.274779 -0.747785 -0.174858
O 2.955755 -2.454913 -0.264082
O -1.237490 2.829452 1.756473
O -0.679316 -0.853728 -1.132672
N -0.611469 1.067566 0.276963
C 0.813663 1.327935 0.273762
C -2.881569 1.220332 0.798973
C -2.710107 0.118223 -0.074033
C 4.868757 -0.830205 0.811141
C -1.544804 1.842082 1.048356
C -1.256458 -0.005625 -0.410960
C -4.147267 1.580810 1.285002
C -3.800046 -0.660024 -0.491325
C 5.455653 0.562190 1.092738
C 1.893289 -2.946330 -1.196084
C -5.256347 0.798820 0.869470
C -5.085299 -0.303939 -0.005729
C 1.878711 -4.464628 -1.050438
H 0.978482 2.339719 0.671552
H 1.246549 1.224046 -0.741502
H 4.625712 -1.379351 1.737874
H 5.552328 -1.452966 0.207533
H -4.266313 2.434443 1.959397
H -3.656875 -1.508530 -1.167568
H 6.402830 0.455885 1.650781
H 5.665444 1.102802 0.153177
H 4.764720 1.174182 1.698510
H 0.929719 -2.485746 -0.918544
H 2.155903 -2.627636 -2.222586
H -6.260318 1.048795 1.228456
H -5.960178 -0.888335 -0.309898
H 1.114811 -4.892221 -1.726113
H 2.859211 -4.897216 -1.314000
H 1.631722 -4.756988 -0.015593


