%chk=000113663.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113663

0 1
 S  -0.7999000      -1.340000      -1.162100    
 O  -0.5415000     -0.4475000       1.308100    
 N   -3.311000       3.125700      0.1299000    
 N   -2.566000      -2.803200      0.1671000    
 N  -0.3125000      -3.537600      0.2070000    
 C   6.8999999E-03   1.195100     -0.3890000    
 C    1.424500       1.511000      0.1317000    
 C  -0.9830000       2.271200      0.1056000    
 C    2.454800      0.4521000     -0.2798000    
 C    3.853700      0.7209000      0.2809000    
 C   -2.437900       2.049900     -0.3227000    
 C  -0.4326000     -0.1749000      0.1175000    
 C    4.886300     -0.3118000     -0.1429000    
 C   -1.241700      -2.710900     -0.1513000    
 H   2.3100000E-02   1.211700      -1.485500    
 H    1.410600       1.581500       1.227000    
 H    1.741500       2.491000     -0.2459000    
 H  -0.9456000       2.324800       1.202300    
 H  -0.6461000       3.248900     -0.2639000    
 H    2.141600     -0.5393000      6.5899998E-02
 H    2.505500      0.4067000      -1.374600    
 H    4.190800       1.711700     -4.6100002E-02
 H    3.807200      0.7465000       1.376200    
 H   -2.820400       1.107700      8.2199998E-02
 H   -2.497700       1.982100      -1.414300    
 H    4.987100     -0.3381000      -1.232500    
 H    4.601600      -1.311600      0.2000000    
 H    5.864300     -7.0000000E-02  0.2846000    
 H   -3.256700       3.204200       1.144900    
 H   -2.973600       4.015300     -0.2362000    
 H   -2.920700      -3.561400      0.7395000    
 H   -3.234600      -2.113700     -0.1585000    
 H  -0.7318000      -4.277100      0.7813000    


%chk=000113663-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113663

0 1
S -0.804448 -1.381807 -1.127647
O -0.779591 -0.383696 1.459184
N -3.319244 3.373994 -0.035879
N -2.541307 -3.015132 0.178690
N -0.191399 -3.689253 0.200959
C -0.036315 1.208981 -0.266441
C 1.414842 1.432189 0.261633
C -0.983262 2.359194 0.182141
C 2.448183 0.405770 -0.252824
C 3.877929 0.705155 0.252148
C -2.417157 2.267896 -0.408598
C -0.555607 -0.129329 0.261477
C 4.917041 -0.313229 -0.264092
C -1.185622 -2.912532 -0.103072
H -0.008882 1.166671 -1.374017
H 1.389678 1.418371 1.369325
H 1.726181 2.452582 -0.041633
H -1.040526 2.364697 1.288627
H -0.526514 3.321407 -0.126760
H 2.157431 -0.615813 0.061861
H 2.444395 0.399111 -1.362667
H 4.172631 1.728545 -0.060201
H 3.878623 0.705262 1.361305
H -2.890149 1.320711 -0.085811
H -2.359935 2.227363 -1.513939
H 4.955478 -0.314121 -1.369797
H 4.659707 -1.338438 0.061145
H 5.931413 -0.082467 0.110201
H -3.527995 3.422410 0.966543
H -3.041409 4.287384 -0.408986
H -2.890104 -3.763618 0.776817
H -3.185550 -2.280932 -0.108405
H -0.442312 -4.526428 0.765112


