%chk=000049883.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049883

0 1
 S    3.604100       1.028000     -0.3244000    
 N   -3.648600     -0.5745000     -2.6400000E-02
 N   0.7032000     -0.1144000     -0.3038000    
 N  -0.3084000       2.057500     -3.0900000E-02
 C   -1.346900     -0.8604000      0.8465000    
 C   -2.762900      -1.436300      0.7470000    
 C  -0.6649000     -0.6132000     -0.4987000    
 C    1.742900      -1.062200     -0.1436000    
 C   -3.751100      0.7482000      0.5927000    
 C   -4.975800      -1.179700     -0.1531000    
 C   0.8172000       1.296000     -0.1572000    
 C    3.094400     -0.6657000     -0.1246000    
 C    2.076400       1.908000     -0.1288000    
 C   -4.621100       1.655800     -0.2556000    
 C   -4.866100      -2.549500     -0.7945000    
 C    1.482400      -2.440500      2.6900001E-02
 C    4.122500      -1.613100      3.5799999E-02
 C    2.155900       3.300000      2.9100001E-02
 C    2.507300      -3.377200      0.1898000    
 C    3.829500      -2.963300      0.1914000    
 C    1.006100       4.061300      0.1600000    
 C  -0.1961000       3.395100      0.1224000    
 H   -1.331200      4.1600000E-02   1.468200    
 H  -0.7579000      -1.577700       1.431800    
 H   -3.154300      -1.607600       1.758500    
 H   -2.641100      -2.417400      0.2766000    
 H   -1.247400      9.8800004E-02  -1.098100    
 H  -0.6792000      -1.518800      -1.118100    
 H   -2.779700       1.242700      0.6456000    
 H   -4.149500      0.6951000       1.613600    
 H   -5.612400     -0.5896000     -0.8199000    
 H   -5.487400      -1.261200      0.8141000    
 H   0.4740000      -2.842900      3.7400000E-02
 H   -4.340500       1.619900      -1.314100    
 H   -5.687300       1.428400     -0.1598000    
 H   -4.497300       2.693400      7.5700000E-02
 H   -4.222700      -2.539200      -1.681400    
 H   -4.507900      -3.314100     -9.7999997E-02
 H   -5.859400      -2.877800      -1.122200    
 H    5.166800      -1.306900      4.2300001E-02
 H    3.119100       3.805800      4.9400002E-02
 H    2.265500      -4.428700      0.3144000    
 H    4.630000      -3.685900      0.3159000    
 H    1.053600       5.136500      0.2834000    
 H   -1.135600       3.928800      0.2170000    


%chk=000049883-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049883

0 1
S 3.530461 0.993689 -0.986147
N -3.701835 -0.613303 0.094127
N 0.657663 -0.114061 -0.273102
N -0.262382 2.009985 0.226633
C -1.372192 -0.803528 1.103193
C -2.810761 -1.361378 1.022661
C -0.746939 -0.608991 -0.297533
C 1.727996 -1.053004 -0.161070
C -3.918846 0.794407 0.536416
C -4.976398 -1.346064 -0.139866
C 0.842974 1.277624 -0.107392
C 3.087205 -0.685128 -0.385289
C 2.112896 1.909046 -0.284177
C -4.533023 1.692760 -0.554825
C -4.811946 -2.597148 -1.025460
C 1.471828 -2.412897 0.175543
C 4.132989 -1.618376 -0.249933
C 2.237748 3.284242 -0.026136
C 2.516522 -3.356505 0.273204
C 3.856276 -2.967060 0.069669
C 1.089923 4.037053 0.330021
C -0.138435 3.356043 0.414555
H -1.348038 0.168463 1.624619
H -0.768963 -1.503024 1.713453
H -3.238710 -1.396130 2.059891
H -2.764547 -2.407678 0.666524
H -1.352916 0.126480 -0.846375
H -0.768090 -1.548654 -0.878120
H -2.931842 1.215147 0.796671
H -4.549787 0.836517 1.463044
H -5.672646 -0.656748 -0.648348
H -5.461500 -1.631410 0.830674
H 0.449144 -2.742725 0.367151
H -3.920104 1.644278 -1.472187
H -5.568516 1.409075 -0.815337
H -4.557561 2.742244 -0.206826
H -4.328435 -2.322605 -1.979522
H -4.200461 -3.380889 -0.543187
H -5.800883 -3.040501 -1.246236
H 5.165161 -1.290207 -0.414239
H 3.213401 3.769666 -0.133737
H 2.274787 -4.395525 0.521801
H 4.672630 -3.690964 0.154329
H 1.152113 5.112414 0.517346
H -1.067763 3.888471 0.645817


