%chk=000005452.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005452

0 1
 S   -3.768600      -1.256100     -0.1060000    
 S    1.899900      -4.027300      0.6462000    
 N    3.261400       2.575500      0.3773000    
 N   -1.026900      0.1574000     -0.4924000    
 C    2.353000       1.943500     -0.5987000    
 C    3.137600      0.9323000      -1.456700    
 C    1.095000       1.296500      1.2000001E-03
 C    3.880800     -9.8300003E-02 -0.6120000    
 C    3.944400       1.611400       1.247300    
 C    4.746000      0.5967000      0.4317000    
 C   0.1764000      0.7512000      -1.089400    
 C    2.619700       3.627000       1.161000    
 C  -0.9669000      -1.211100     -0.1265000    
 C   -2.133700       1.014000     -0.2650000    
 C   -2.142200      -1.954200      0.1005000    
 C   -3.424700      0.4913000     -5.2000001E-02
 C   0.2615000      -1.881500      6.2500000E-02
 C   -1.992800       2.417800     -0.2050000    
 C   -2.076900      -3.309100      0.4715000    
 C   -4.517500       1.345100      0.1809000    
 C   0.3208000      -3.226900      0.4363000    
 C   -3.081500       3.261500      3.1900000E-02
 C  -0.8496000      -3.942200      0.6380000    
 C   -4.345700       2.724700      0.2219000    
 C    2.630600      -3.839400      -1.004500    
 H    2.019900       2.734300      -1.285200    
 H    3.887800       1.493800      -2.033000    
 H    2.530400      0.4349000      -2.215200    
 H   0.5619000       2.034300      0.6055000    
 H    1.370700      0.5212000      0.7204000    
 H    4.509400     -0.7234000      -1.256100    
 H    3.184800     -0.7649000     -0.1032000    
 H    3.234000       1.088300       1.899100    
 H    4.645800       2.140000       1.904800    
 H    5.189700     -0.1491000       1.101100    
 H    5.578000       1.108000     -6.9399998E-02
 H   0.6600000     -1.6000000E-03  -1.718200    
 H  -8.6700000E-02   1.542900      -1.803800    
 H    2.098700       4.338200      0.5106000    
 H    3.375700       4.202900       1.707000    
 H    1.906700       3.236200       1.894600    
 H    1.199300      -1.372700     -9.6699998E-02
 H   -1.043100       2.916500     -0.3653000    
 H   -2.984500      -3.886700      0.6352000    
 H   -5.517100      0.9428000      0.3335000    
 H   -2.937000       4.337600      6.1299998E-02
 H  -0.8296000      -4.990000      0.9256000    
 H   -5.195400       3.375800      0.4029000    
 H    2.753300      -2.788400      -1.270800    
 H    1.998300      -4.326800      -1.751700    
 H    3.614000      -4.316800      -1.016000    


%chk=000005452-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005452

0 1
S -3.821961 -1.271067 -0.392261
S 1.912579 -4.147086 0.515914
N 3.188297 2.832191 0.469109
N -1.007452 0.118429 -0.586492
C 2.393180 2.094053 -0.552100
C 3.365515 1.258471 -1.427381
C 1.220342 1.240690 0.038607
C 4.244776 0.312311 -0.576962
C 4.028267 1.973157 1.337385
C 5.004091 1.124592 0.495657
C 0.258812 0.727216 -1.067106
C 2.438957 3.859829 1.210038
C -0.990167 -1.257867 -0.214643
C -2.100964 0.987145 -0.284762
C -2.189616 -1.999489 -0.003213
C -3.422855 0.491940 -0.086898
C 0.239396 -1.959769 -0.057068
C -1.917629 2.396926 -0.184952
C -2.154044 -3.347997 0.402383
C -4.490288 1.351374 0.236948
C 0.270282 -3.323884 0.305391
C -2.996695 3.262477 0.096534
C -0.924609 -4.027540 0.558589
C -4.289487 2.747906 0.322258
C 2.025629 -5.045548 -1.147920
H 1.933516 2.869955 -1.203093
H 4.023417 1.966279 -1.966858
H 2.802312 0.690224 -2.191817
H 0.646248 1.859497 0.752391
H 1.615476 0.392051 0.623844
H 4.958940 -0.226012 -1.228447
H 3.623537 -0.464763 -0.086712
H 3.416677 1.298590 1.991050
H 4.599231 2.635946 2.015645
H 5.578637 0.453051 1.162145
H 5.723214 1.803493 -0.002133
H 0.764935 -0.023596 -1.698495
H -0.009052 1.563966 -1.739765
H 1.880528 4.496203 0.498289
H 3.147851 4.508257 1.757401
H 1.709389 3.459069 1.957397
H 1.194192 -1.455396 -0.209325
H -0.926958 2.834047 -0.324286
H -3.097528 -3.874459 0.582282
H -5.486342 0.925099 0.398931
H -2.813854 4.341138 0.150735
H -0.899623 -5.073915 0.876023
H -5.127808 3.411712 0.555016
H 2.024775 -4.315331 -1.971287
H 1.182529 -5.744816 -1.253742
H 2.976504 -5.601647 -1.135244


