%chk=000019545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019545

0 1
 S    2.434900      -1.143600      0.3185000    
 N   -1.692500      0.5072000     -7.0200004E-02
 N   0.6707000      0.8530000      0.1612000    
 N  -0.2111000      -1.376200      5.7500001E-02
 C   -1.422600     -0.8082000     -5.5000000E-02
 C  -0.5979000       1.276800      4.1900001E-02
 C   0.7876000     -0.4846000      0.1613000    
 C   -2.586800      -1.731400     -0.1781000    
 C  -0.8120000       2.752100      3.1199999E-02
 C    3.429800      0.1550000     -0.4682000    
 H   -2.373700      -2.694000      0.2972000    
 H   -3.472200      -1.304300      0.3031000    
 H   -2.810600      -1.904600      -1.234900    
 H  -1.2700000E-02   3.266700      0.5737000    
 H  -0.8252000       3.115900      -1.000400    
 H   -1.763900       3.008600      0.5064000    
 H    3.386100       1.080000      0.1130000    
 H    3.077300      0.3438000      -1.485900    
 H    4.471400     -0.1737000     -0.5161000    


%chk=000019545-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019545

0 1
S 2.446373 -1.298119 -0.187892
N -1.709677 0.495359 -0.072379
N 0.691451 0.819571 -0.145578
N -0.235246 -1.428601 -0.106938
C -1.479601 -0.860996 -0.073163
C -0.596516 1.293543 -0.109966
C 0.806121 -0.541519 -0.143141
C -2.673178 -1.774298 -0.040126
C -0.801751 2.783139 -0.123013
C 3.537013 0.235134 -0.227883
H -2.349907 -2.825208 -0.010384
H -3.300625 -1.549810 0.840096
H -3.300059 -1.608033 -0.934634
H 0.159184 3.305485 -0.005378
H -1.265899 3.090765 -1.078070
H -1.496697 3.078875 0.681373
H 3.368050 0.836073 0.675990
H 3.307658 0.832003 -1.121069
H 4.569906 -0.144861 -0.261645


