%chk=000131990.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131990

0 1
 S   -2.088400      0.8618000      -1.803400    
 N    1.703700     -0.6607000     -0.3062000    
 N    4.531400     -0.9487000     -0.2542000    
 N  -0.5662000      -1.391000     -0.2011000    
 N   -3.923300      -2.238900       1.032300    
 C    2.292100      -1.944000      5.7300001E-02
 C    2.532900      0.2046000      -1.136400    
 C    3.684200      -1.736100      0.6537000    
 C    3.919600      0.3631000     -0.5129000    
 C   0.2800000     -0.3971000     -0.1192000    
 C    5.873100     -0.7881000      0.3053000    
 C  -9.0000004E-02   1.026100      0.1522000    
 C   -1.086900       1.691000     -0.5790000    
 C   0.6417000       1.718900       1.127300    
 C   -1.953100      -1.273200     -2.2500001E-02
 C   -2.775600     -0.3785000     -0.7191000    
 C   -1.332400       3.047700     -0.3270000    
 C   0.3820000       3.066400       1.373800    
 C  -0.6008000       3.730700      0.6453000    
 C   -2.588300      -2.178100      0.8246000    
 C   -4.159800     -0.4190000     -0.5346000    
 C   -4.675700      -1.356800      0.3440000    
 H    2.345500      -2.584100     -0.8317000    
 H    1.669600      -2.460900      0.7968000    
 H    2.092900       1.195800      -1.283900    
 H    2.620500     -0.2446000      -2.133900    
 H    3.595500      -1.237100       1.628300    
 H    4.135400      -2.720300      0.8289000    
 H    4.545800      0.9365000      -1.207000    
 H    3.842600      0.9439000      0.4159000    
 H    6.344300      -1.765200      0.4597000    
 H    5.862600     -0.2549000       1.262800    
 H    6.515600     -0.2363000     -0.3898000    
 H    1.415900       1.220100       1.704900    
 H   -2.100100       3.587700     -0.8768000    
 H   0.9499000       3.598600       2.131300    
 H  -0.8010000       4.781100      0.8359000    
 H   -2.015400      -2.917400       1.378100    
 H   -4.827100      0.2644000      -1.050100    
 H   -5.744000      -1.421600      0.5222000    


%chk=000131990-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131990

0 1
S -2.068955 0.734760 -1.867143
N 1.710791 -0.495708 -0.278880
N 4.538789 -1.024591 -0.223927
N -0.461794 -1.253801 0.074746
N -3.807333 -2.321171 1.234838
C 2.204676 -1.889845 -0.245946
C 2.663946 0.436570 -0.920953
C 3.580592 -1.938967 0.442166
C 4.032346 0.365996 -0.219092
C 0.355063 -0.226773 -0.103408
C 5.904344 -1.134405 0.323054
C -0.036831 1.217659 0.051821
C -1.128069 1.777566 -0.663537
C 0.637389 2.031955 1.003260
C -1.849138 -1.226055 0.192885
C -2.739996 -0.448376 -0.614546
C -1.508279 3.123063 -0.467413
C 0.259415 3.375438 1.204423
C -0.806718 3.928862 0.456998
C -2.468969 -2.147286 1.101029
C -4.133385 -0.621994 -0.488885
C -4.626726 -1.567102 0.438635
H 2.293281 -2.278844 -1.281032
H 1.461422 -2.501897 0.287418
H 2.270389 1.463226 -0.893903
H 2.795504 0.141439 -1.983335
H 3.453796 -1.684432 1.526626
H 3.975269 -2.970169 0.381410
H 4.750960 1.008052 -0.761784
H 3.931055 0.769131 0.823679
H 6.259909 -2.175619 0.225462
H 5.976114 -0.844396 1.402155
H 6.588718 -0.485059 -0.251859
H 1.453695 1.593601 1.588429
H -2.355931 3.526256 -1.030193
H 0.790064 3.986853 1.942062
H -1.101473 4.973535 0.603322
H -1.820272 -2.766822 1.730060
H -4.822024 -0.030166 -1.099572
H -5.702936 -1.734682 0.552731


