%chk=000035067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035067

0 1
 S    4.858100      2.4499999E-02   1.448500    
 N  -0.6818000       2.337800     -0.1732000    
 N  -0.7064000      -2.348300      1.8000000E-03
 N  -0.7253000     -4.9999999E-03 -7.9999998E-02
 N    1.310600      -1.229000     -0.4191000    
 N    1.323200       1.168800     -0.5088000    
 N    3.281100     -5.4200001E-02 -0.8340000    
 C   -2.100800       2.446100      8.8600002E-02
 C   -2.109400      -2.402100      0.2701000    
 C   -2.598000       3.802500     -0.3933000    
 C   -2.359200       2.257300       1.577800    
 C   -2.447300      -3.742700      0.9089000    
 C   -2.883300      -2.193900      -1.025200    
 C  -8.1000002E-03   1.131700     -0.2564000    
 C  -6.3999998E-03  -1.135200     -0.1742000    
 C    1.909500     -3.7300002E-02 -0.5752000    
 C    3.943400     -2.0800000E-02  0.1437000    
 H   -2.650800       1.680900     -0.4737000    
 H   -2.396800      -1.624700      0.9895000    
 H  -0.1253000       3.180700     -0.2578000    
 H  -0.1721000      -3.200800     -0.1220000    
 H   -3.675400       3.905100     -0.2272000    
 H   -2.094200       4.623000      0.1301000    
 H   -2.407400       3.928800      -1.464900    
 H   -2.048900       1.265400       1.921900    
 H   -3.425700       2.365700       1.802300    
 H   -1.812100       2.997200       2.173200    
 H   -3.515000      -3.805300       1.144100    
 H   -2.197200      -4.578000      0.2448000    
 H   -1.887400      -3.883200       1.840300    
 H   -2.687000      -1.211200      -1.465900    
 H   -3.961600      -2.264900     -0.8468000    
 H   -2.616100      -2.948400      -1.774100    


%chk=000035067-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035067

0 1
S 6.114834 -0.062106 -0.308577
N -0.699545 2.362796 0.057360
N -0.749521 -2.349740 0.125332
N -0.815073 0.007456 0.096446
N 1.293906 -1.237630 -0.012941
N 1.320380 1.204201 -0.037292
N 3.289700 -0.038816 -0.140845
C -2.164645 2.542465 0.159222
C -2.221857 -2.495256 0.182512
C -2.550688 3.882944 -0.496444
C -2.635852 2.454114 1.630613
C -2.564072 -3.836343 0.860197
C -2.848190 -2.375003 -1.227051
C -0.064043 1.153528 0.043472
C -0.089314 -1.155052 0.065090
C 1.911551 -0.023603 -0.060386
C 4.493236 -0.052012 -0.206842
H -2.623188 1.707380 -0.401026
H -2.596426 -1.658600 0.799977
H -0.087891 3.181578 0.035554
H -0.158506 -3.182548 0.080241
H -3.644141 4.026717 -0.453555
H -2.082145 4.735092 0.033245
H -2.238607 3.915423 -1.555423
H -2.327425 1.491455 2.072486
H -3.737568 2.526404 1.688512
H -2.202900 3.274185 2.232609
H -3.658635 -3.956899 0.935344
H -2.175136 -4.690501 0.272489
H -2.139639 -3.890424 1.878449
H -2.568662 -1.412236 -1.687273
H -3.950980 -2.423646 -1.164655
H -2.502059 -3.194823 -1.883042


