%chk=000099601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099601

0 1
 S    1.844100      -2.416400     -0.9311000    
 S  -0.7842000      -3.701300      -1.221000    
 N    1.677600     -0.1920000      0.6075000    
 N  -0.3727000      -1.490100      0.3782000    
 C   0.4822000     -0.6989000       1.277800    
 C    2.373500      0.7641000       1.471900    
 C    3.605200       1.322900      0.7614000    
 C    2.553000      -1.315500      0.3000000    
 C   -1.805300      -1.378900      0.6765000    
 C    3.220500       2.024400     -0.5418000    
 C   0.1284000      -2.476800     -0.4931000    
 C   -2.370800     -6.0300000E-02  0.2341000    
 C    4.437100       2.614300      -1.237300    
 C   -3.441500      0.4953000      0.9246000    
 C   -1.818300      0.5917000     -0.8621000    
 C   -3.967100       1.720200      0.5134000    
 C   -2.343700       1.816600      -1.273400    
 C   -3.418200       2.380800     -0.5856000    
 H  -0.1043000      0.1498000       1.648600    
 H   0.7241000      -1.329600       2.143700    
 H    2.677600      0.3020000       2.420100    
 H    1.704300       1.598200       1.718500    
 H    4.392100      0.5797000      0.6030000    
 H    4.057900       2.068300       1.429700    
 H    3.491200      -1.010800     -0.1649000    
 H    2.809400      -1.896000       1.194900    
 H   -1.917300      -1.505100       1.761200    
 H   -2.401600      -2.164100      0.2081000    
 H    2.501600       2.826300     -0.3366000    
 H    2.739100       1.327600      -1.236500    
 H    4.138800       3.114900      -2.163700    
 H    4.935500       3.350600     -0.5988000    
 H    5.160600       1.832900      -1.491200    
 H   -3.877300     -1.1900000E-02   1.780800    
 H  -0.9939000      0.1736000      -1.431500    
 H   -4.804100       2.159300       1.048400    
 H   -1.919100       2.329400      -2.131500    
 H   -3.828100       3.334000     -0.9066000    


%chk=000099601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099601

0 1
S 2.729559 -2.237429 -0.346380
S 0.493495 -2.252061 -2.336187
N 1.916291 -0.706181 1.894256
N 0.140705 -1.360044 0.236368
C 0.526719 -0.997348 1.664044
C 2.443844 0.683977 1.912187
C 3.078958 1.241561 0.611331
C 2.791357 -1.790429 1.581905
C -1.333976 -1.258732 0.006869
C 2.082313 1.624320 -0.503540
C 0.966749 -1.888842 -0.724604
C -1.830650 0.171781 -0.153726
C 2.790275 2.220124 -1.738864
C -2.664261 0.763716 0.828116
C -1.480543 0.924695 -1.305704
C -3.141463 2.085882 0.668092
C -1.955079 2.243982 -1.465744
C -2.785841 2.829682 -0.479690
H -0.086110 -0.119178 1.929245
H 0.209115 -1.855978 2.296223
H 3.203440 0.723293 2.719277
H 1.610620 1.341237 2.226469
H 3.814175 0.514189 0.213479
H 3.658728 2.143857 0.900317
H 3.845937 -1.548367 1.779193
H 2.497762 -2.720660 2.094720
H -1.831967 -1.740413 0.872790
H -1.549059 -1.853367 -0.898189
H 1.346438 2.352887 -0.104640
H 1.505426 0.734723 -0.813552
H 2.061210 2.505928 -2.518950
H 3.373661 3.122432 -1.472428
H 3.486271 1.484905 -2.183972
H -2.954910 0.183982 1.714293
H -0.844676 0.462270 -2.070089
H -3.789334 2.530660 1.431855
H -1.683670 2.814787 -2.360981
H -3.155207 3.853360 -0.608088


