%chk=000121005.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121005

0 1
 S    4.376600     -0.4494000      0.6088000    
 N   -1.479300      -1.476000     -5.8100000E-02
 N   -2.362200      0.6921000      7.2600000E-02
 N   -3.799600      -1.200500     -0.2590000    
 N   -4.732500       1.006500     -0.1286000    
 N   -3.302100       2.836600      0.1967000    
 C    4.539900       1.209900     -0.1085000    
 C    2.631900     -0.7580000      0.4145000    
 C  -9.8700002E-02  -1.236500      0.1026000    
 C    5.987400       1.675100     -3.8999999E-03
 C    4.064300       1.193100      -1.556300    
 C    2.196200      -1.844900     -0.3436000    
 C    1.702100      8.9699998E-02   1.016800    
 C   0.8310000      -2.084100     -0.4996000    
 C   0.3367000     -0.1497000      0.8608000    
 C   -2.599000     -0.6220000     -8.2999997E-02
 C   -3.474200       1.444100      3.8899999E-02
 C   -4.818500     -0.3260000     -0.2712000    
 H    3.920100       1.908300      0.4643000    
 H    6.093600       2.687100     -0.4105000    
 H    6.322200       1.706900       1.038900    
 H    6.666900       1.022800     -0.5643000    
 H    4.225900       2.175600      -2.015400    
 H    2.994000      0.9838000      -1.645900    
 H    4.613300      0.4612000      -2.159800    
 H    2.906100      -2.515200     -0.8220000    
 H    2.018100      0.9325000       1.626400    
 H   0.5043000      -2.933300      -1.094500    
 H  -0.3494000      0.5086000       1.383100    
 H   -1.711300      -2.431200     -0.3135000    
 H   -5.810600     -0.7371000     -0.4099000    
 H   -2.372400       3.210700      0.3269000    
 H   -4.110800       3.442600      0.1791000    


%chk=000121005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121005

0 1
S 4.359064 -0.220637 0.906791
N -1.519434 -1.185874 -0.413783
N -2.690548 0.749929 0.380585
N -3.812489 -1.131982 -0.705113
N -5.121646 0.772677 0.054404
N -4.006530 2.554181 1.089550
C 4.825044 1.163264 -0.359351
C 2.583036 -0.467935 0.489523
C -0.171334 -0.893214 -0.088508
C 6.212574 1.682228 0.053687
C 4.780818 0.625722 -1.796736
C 2.165445 -1.653756 -0.162396
C 1.610364 0.493449 0.854304
C 0.802366 -1.868503 -0.443546
C 0.243988 0.298617 0.565827
C -2.686255 -0.474689 -0.224229
C -3.934525 1.326062 0.493558
C -4.973150 -0.450728 -0.529813
H 4.060878 1.948984 -0.216738
H 6.532074 2.487333 -0.634618
H 6.205288 2.085536 1.081520
H 6.966935 0.875332 0.003015
H 5.007800 1.438795 -2.514668
H 3.783771 0.220215 -2.043162
H 5.526978 -0.177707 -1.934568
H 2.909852 -2.404354 -0.446330
H 1.924403 1.400111 1.383421
H 0.492328 -2.793892 -0.945577
H -0.507570 1.038338 0.844403
H -1.698611 -2.081441 -0.878097
H -5.886213 -0.931284 -0.894324
H -3.158255 2.999600 1.430117
H -4.916444 2.998920 1.183656


