%chk=000016105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016105

0 1
 S    2.068400      0.9004000       1.789000    
 N   -1.613800     -0.6963000      0.4017000    
 N   -4.441900     -0.9580000      0.2118000    
 N   0.5644000      -1.401100      0.2571000    
 C   -2.202200      -1.993900      8.2000002E-02
 C   -2.478000      0.2145000       1.147300    
 C   -3.556200      -1.802500     -0.6033000    
 C   -3.826300      0.3576000      0.4390000    
 C  -0.3062000     -0.4278000      0.1838000    
 C   -5.746400     -0.8105000     -0.4320000    
 C   2.4800001E-02  0.9975000     -0.1209000    
 C    1.023500       1.694000      0.5774000    
 C    1.944000      -1.258600      2.7200000E-02
 C  -0.7442000       1.658600      -1.088700    
 C    2.762900     -0.3330000      0.6981000    
 C    1.234800       3.051100      0.2993000    
 C  -0.5185000       3.007100      -1.361600    
 C   0.4669000       3.703200     -0.6664000    
 C    2.546500      -2.173500     -0.8494000    
 C    4.148100     -0.3284000      0.4801000    
 C    3.924300      -2.160800      -1.069200    
 C    4.725000      -1.239800     -0.4024000    
 H   -2.317500      -2.576900       1.003900    
 H   -1.556400      -2.571600     -0.5901000    
 H   -2.046700       1.207500       1.307500    
 H   -2.634200     -0.2034000       2.150700    
 H   -3.405700      -1.357900      -1.596400    
 H   -4.011100      -2.789400     -0.7505000    
 H   -4.481900      0.9689000       1.071100    
 H   -3.696700      0.8931000     -0.5101000    
 H   -5.672900     -0.3281000      -1.413400    
 H   -6.419400     -0.2152000      0.1952000    
 H   -6.222900      -1.788300     -0.5632000    
 H   -1.513900       1.133900      -1.648800    
 H    2.003500       3.615300      0.8228000    
 H   -1.113000       3.514900      -2.115500    
 H    1.938500      -2.913800      -1.365200    
 H   0.6408000       4.754100     -0.8783000    
 H    4.790700      0.3887000      0.9858000    
 H    4.371300      -2.875300      -1.754100    
 H    5.798000      -1.229500     -0.5698000    


%chk=000016105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016105

0 1
S 2.041697 0.782120 1.857929
N -1.692346 -0.518046 0.242895
N -4.513915 -1.086195 0.229174
N 0.498106 -1.255289 -0.055362
C -2.167201 -1.918403 0.222826
C -2.648227 0.399996 0.901340
C -3.550973 -1.988142 -0.447146
C -4.025261 0.310925 0.219385
C -0.332335 -0.236576 0.087929
C -5.882390 -1.211724 -0.305612
C 0.033944 1.211983 -0.086966
C 1.102399 1.802819 0.637025
C 1.892043 -1.210864 -0.178068
C -0.646595 2.000674 -1.055256
C 2.758676 -0.395615 0.620850
C 1.455085 3.154651 0.431592
C -0.295374 3.349959 -1.266198
C 0.748552 3.934814 -0.510930
C 2.509708 -2.136836 -1.073243
C 4.161989 -0.503902 0.523694
C 3.909327 -2.238793 -1.175319
C 4.746964 -1.427041 -0.371674
H -2.236390 -2.306763 1.260059
H -1.422835 -2.522587 -0.318000
H -2.270104 1.432295 0.866691
H -2.759633 0.105231 1.966520
H -3.441282 -1.732761 -1.533225
H -3.931212 -3.024539 -0.380426
H -4.745555 0.943033 0.771706
H -3.942702 0.715478 -0.824142
H -5.967479 -0.920417 -1.383549
H -6.569731 -0.571743 0.276354
H -6.224909 -2.257325 -0.207056
H -1.447653 1.538731 -1.643463
H 2.285499 3.582418 1.001942
H -0.830394 3.942291 -2.016358
H 1.851137 -2.773192 -1.673073
H 1.021709 4.984359 -0.665023
H 4.790735 0.139807 1.147903
H 4.350591 -2.957231 -1.875493
H 5.836736 -1.510799 -0.438731


