%chk=000020105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020105

0 1
 S  -0.4123000      -2.812900     -0.4421000    
 N    2.804700      0.9710000      0.2336000    
 N   -1.762500       1.998900     -5.7100002E-02
 N   0.5280000       1.516200      9.1300003E-02
 N   -1.078100     -0.2370000     -0.2319000    
 N    1.258300     -0.7629000     -8.2900003E-02
 C    3.930700      6.2399998E-02  0.2388000    
 C   -3.137900       1.644100     -0.2156000    
 C    5.110500      0.7291000      0.9337000    
 C    4.277200     -0.3265000      -1.192500    
 C   -3.921300       2.865700     -0.6773000    
 C   -3.678800       1.103200       1.101500    
 C    1.491700      0.5628000      7.5800002E-02
 C  -0.7200000       1.046500     -6.6399999E-02
 C  -3.7000000E-02  -1.085000     -0.2295000    
 C   -2.065800      -2.926700      0.2986000    
 C   -2.587200      -4.349100      0.2221000    
 H    3.687200     -0.8419000      0.8105000    
 H   -3.253900      0.8784000     -0.9932000    
 H    2.969600       1.968900      0.3020000    
 H   -1.495000       2.960300      0.1208000    
 H    5.973000      5.5500001E-02  0.9716000    
 H    5.417000       1.643900      0.4138000    
 H    4.851500       1.005300       1.961800    
 H    3.450200     -0.8492000      -1.683900    
 H    5.147000     -0.9919000      -1.213000    
 H    4.513400      0.5560000      -1.798100    
 H   -4.977700       2.618800     -0.8263000    
 H   -3.863700       3.679500      5.4499999E-02
 H   -3.526500       3.246700      -1.625800    
 H   -3.154800      0.1954000       1.417700    
 H   -4.741500      0.8544000       1.009800    
 H   -3.574100       1.839400       1.906900    
 H   -2.017700      -2.604500       1.343800    
 H   -2.756100      -2.265100     -0.2347000    
 H   -2.672000      -4.691200     -0.8150000    
 H   -1.939500      -5.044500      0.7667000    
 H   -3.584300      -4.405300      0.6714000    


%chk=000020105-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020105

0 1
S -0.317018 -2.945319 0.075727
N 2.822613 0.991484 0.178980
N -1.742719 1.958332 -0.026363
N 0.548039 1.518980 0.076522
N -1.080198 -0.307480 0.036217
N 1.300358 -0.808477 0.113704
C 4.007041 0.104407 0.194037
C -3.185058 1.632606 -0.039308
C 5.173412 0.842122 0.881367
C 4.373047 -0.365396 -1.234364
C -3.951614 2.789075 -0.711916
C -3.708212 1.340038 1.387902
C 1.527161 0.554035 0.119369
C -0.733988 1.033280 0.033148
C -0.014788 -1.152161 0.074467
C -2.214067 -2.999737 -0.001080
C -2.660435 -4.467867 0.043184
H 3.725502 -0.785350 0.785442
H -3.295703 0.712441 -0.641522
H 2.949412 2.005060 0.149427
H -1.445388 2.935798 -0.000396
H 6.061991 0.188778 0.926673
H 5.457319 1.751930 0.316485
H 4.907754 1.137998 1.912000
H 3.516473 -0.890504 -1.689815
H 5.230217 -1.063166 -1.202871
H 4.647480 0.493931 -1.874494
H -5.029752 2.556387 -0.756899
H -3.837410 3.729012 -0.137037
H -3.590687 2.962124 -1.741478
H -3.134198 0.512885 1.839163
H -4.774759 1.049300 1.357147
H -3.610149 2.232603 2.033460
H -2.593989 -2.417600 0.852715
H -2.520426 -2.494888 -0.930520
H -2.256226 -5.041562 -0.810004
H -2.334865 -4.961882 0.975965
H -3.763872 -4.522519 -0.003634


