%chk=000137311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137311

0 1
 S   -2.734300     -0.5985000      -1.451900    
 N    1.534300      0.5924000     -0.1343000    
 N    3.741500      -1.199900     -0.2886000    
 N  -0.2750000      -1.063000       1.487400    
 C    1.973100     -0.1242000       1.078500    
 C    2.642600      -1.448600      0.6579000    
 C    2.570900      0.8044000      -1.146500    
 C    3.235400     -0.5302000      -1.494100    
 C   0.8580000     -0.3752000       2.100500    
 C   0.4633000       1.479300     -5.7599999E-02
 C  -0.8128000       1.048800      0.3642000    
 C    4.409500      -2.452600     -0.6403000    
 C   -1.045300     -0.3874000      0.6993000    
 C   0.5936000       2.836000     -0.4085000    
 C   -1.892900       1.939400      0.4640000    
 C   -2.188000      -1.084000      9.5700003E-02
 C  -0.4833000       3.723400     -0.3202000    
 C   -1.723700       3.276400      0.1203000    
 C   -2.931000      -2.124200      0.6058000    
 C   -3.964800      -2.529500     -0.2870000    
 C   -3.971100      -1.782700      -1.444500    
 H    2.729300      0.4965000       1.580500    
 H    3.039600      -1.940700       1.554700    
 H    1.902700      -2.127000      0.2119000    
 H    3.319100       1.515700     -0.7745000    
 H    2.142600       1.214800      -2.069600    
 H    2.514600      -1.172600      -2.018200    
 H    4.061600     -0.3321000      -2.187600    
 H    1.239700      -1.004000       2.913900    
 H   0.5407000      0.5572000       2.585700    
 H    4.823800      -2.931300      0.2539000    
 H    5.253000      -2.262400      -1.313300    
 H    3.731500      -3.161800      -1.128700    
 H    1.550400       3.234300     -0.7394000    
 H   -2.865700       1.609100      0.8190000    
 H  -0.3470000       4.766900     -0.5897000    
 H   -2.556900       3.968500      0.1969000    
 H   -2.750900      -2.578000       1.572200    
 H   -4.668400      -3.327800     -9.0099998E-02
 H   -4.642900      -1.875800      -2.286100    


%chk=000137311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137311

0 1
S -3.150368 -0.462408 -1.374929
N 1.558701 0.606869 -0.092388
N 3.751294 -1.248226 -0.286324
N -0.335897 -1.096477 1.452812
C 1.981052 -0.200684 1.092215
C 2.604051 -1.526402 0.610704
C 2.696845 0.887236 -0.992327
C 3.327662 -0.441160 -1.452510
C 0.817170 -0.411817 2.077798
C 0.473784 1.513937 -0.030048
C -0.851037 1.073303 0.336795
C 4.472834 -2.473841 -0.677664
C -1.115651 -0.360067 0.678595
C 0.644405 2.873447 -0.427532
C -1.915156 2.013284 0.345095
C -2.311083 -1.035381 0.133846
C -0.433439 3.779577 -0.430583
C -1.721705 3.359155 -0.026734
C -2.899487 -2.210758 0.597137
C -4.003656 -2.670287 -0.199016
C -4.269728 -1.856465 -1.292580
H 2.787805 0.357090 1.628992
H 2.976831 -2.087582 1.488154
H 1.811105 -2.138990 0.116887
H 3.478384 1.501836 -0.488951
H 2.332408 1.435439 -1.877832
H 2.583806 -0.986413 -2.087400
H 4.216344 -0.223760 -2.074952
H 1.183542 -1.043625 2.906618
H 0.532013 0.576194 2.500898
H 4.824544 -3.002030 0.226715
H 5.358316 -2.208200 -1.282915
H 3.847270 -3.186468 -1.271710
H 1.641386 3.229254 -0.706217
H -2.911780 1.672921 0.645912
H -0.261857 4.820224 -0.729015
H -2.559591 4.063310 -0.009592
H -2.520513 -2.714577 1.488142
H -4.582155 -3.568805 0.029104
H -5.041650 -1.959052 -2.053597


