%chk=000121415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121415

0 1
 S    1.883200       2.083900       1.427000    
 O   0.8639000      0.4690000      -1.950600    
 N   -2.820400     -8.2500003E-02  0.1119000    
 C   -3.265200       1.261400     -0.2828000    
 C   -3.800500      -1.103900     -0.2830000    
 C   -1.510700     -0.3787000     -0.4683000    
 C   -4.611600       1.606400      0.3555000    
 C   -5.164400     -0.8362000      0.3555000    
 C   -5.669500      0.5618000      1.8100001E-02
 C  -0.4492000      0.6091000      4.4000000E-02
 C   0.9791000      0.3515000     -0.5213000    
 C    1.475900      -1.048900     -0.1399000    
 C    2.018500       1.417300     -0.1107000    
 C    1.154600      -1.542200       1.101800    
 C    2.221000      -1.751700      -1.056100    
 C    3.027900       1.870700     -0.8631000    
 C    3.769400       2.849300     -0.1402000    
 C    1.606000      -2.815600       1.448600    
 C    2.672300      -3.025100     -0.7092000    
 C    3.254900       3.061700       1.119700    
 C    2.364800      -3.557100      0.5431000    
 H   -3.339100       1.348700      -1.374700    
 H   -2.583400       2.040200      6.8099998E-02
 H   -3.460400      -2.093500      4.5800000E-02
 H   -3.907100      -1.141900      -1.375200    
 H   -1.567600     -0.3468000      -1.563300    
 H   -1.230600      -1.400300     -0.1928000    
 H   -4.944200       2.592100      1.0400000E-02
 H   -4.497100       1.670900       1.445200    
 H   -5.087500     -0.9440000       1.445000    
 H   -5.887700      -1.583800      1.0700000E-02
 H   -6.593900      0.7710000      0.5676000    
 H   -5.909800      0.6162000      -1.050900    
 H  -0.7044000       1.618400     -0.3004000    
 H  -0.4878000      0.6425000       1.138400    
 H   0.4517000     -0.3370000      -2.304300    
 H   0.5915000     -0.9911000       1.844600    
 H    2.489500      -1.355100      -2.029600    
 H    3.265200       1.551000      -1.869300    
 H    4.637000       3.370100     -0.5243000    
 H    1.372300      -3.227700       2.425900    
 H    3.266900      -3.601100      -1.412300    
 H    3.619000       3.744100       1.874700    
 H    2.718200      -4.547600      0.8140000    


%chk=000121415-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121415

0 1
S 2.428623 1.587183 1.523565
O 1.138650 0.248310 -2.136953
N -2.800905 0.015820 -0.084583
C -3.371964 1.381430 -0.230136
C -3.790336 -1.023339 -0.476728
C -1.523849 -0.151967 -0.822753
C -4.641828 1.550295 0.629203
C -5.068480 -0.930663 0.380371
C -5.695726 0.477635 0.274292
C -0.392721 0.730592 -0.247469
C 1.038372 0.264440 -0.648426
C 1.429106 -1.129218 -0.098822
C 2.059970 1.312263 -0.228019
C 0.781197 -1.734556 1.007064
C 2.516112 -1.808121 -0.709537
C 2.789131 2.174001 -1.029379
C 3.649679 3.068980 -0.289099
C 1.210472 -2.993088 1.488654
C 2.942854 -3.064409 -0.230890
C 3.577905 2.896410 1.082232
C 2.290207 -3.663594 0.872368
H -3.622092 1.593441 -1.305090
H -2.612638 2.119742 0.081921
H -3.317032 -2.015483 -0.349175
H -4.070003 -0.924385 -1.560582
H -1.650614 0.072020 -1.915085
H -1.239217 -1.218416 -0.737273
H -5.051943 2.567598 0.478948
H -4.363169 1.455512 1.696626
H -4.805054 -1.139922 1.435272
H -5.787250 -1.706429 0.052934
H -6.576228 0.562609 0.938904
H -6.055487 0.643174 -0.762713
H -0.490444 1.770693 -0.605419
H -0.488143 0.757373 0.854064
H 0.592509 -0.511158 -2.464972
H -0.058319 -1.235079 1.502957
H 3.027138 -1.332235 -1.553265
H 2.701367 2.152497 -2.116435
H 4.296714 3.812495 -0.761427
H 0.699745 -3.447157 2.345337
H 3.786255 -3.573090 -0.711606
H 4.106499 3.421327 1.875991
H 2.621638 -4.638031 1.248434


