%chk=000055587.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055587

0 1
 S    1.637000       1.128800       1.899000    
 N   -5.167600     -0.9884000      0.9029000    
 N   0.9789000     -0.9281000      -3.089900    
 C  -0.2659000     -0.6017000      0.1672000    
 C   -1.565100      -1.330300     -0.2311000    
 C   0.9774000      -1.286500     -0.4680000    
 C  -0.2771000      0.8976000     -0.1134000    
 C   -2.749600     -0.7888000      0.5553000    
 C    2.369600     -0.9900000      9.9600002E-02
 C   -4.037300      -1.494500      0.1335000    
 C   0.5933000       1.744500      0.5963000    
 C    2.727100     -2.7999999E-03   1.042000    
 C   -1.099400       1.467900      -1.101500    
 C    3.404000      -1.833500     -0.3871000    
 C   0.9782000      -1.085200      -1.940300    
 C   0.6148000       3.121900      0.3302000    
 C    4.077900      0.1144000       1.441300    
 C   -1.067700       2.838400      -1.366000    
 C  -0.2113000       3.665300     -0.6501000    
 C    4.731700      -1.700000      1.5500000E-02
 C    5.070200     -0.7192000      0.9302000    
 C   -6.399700      -1.684000      0.5270000    
 C   -5.319600      0.4545000      0.7075000    
 H  -0.2057000     -0.7467000       1.254700    
 H   -1.756200      -1.266900      -1.308400    
 H   -1.458600      -2.400000     -6.3999998E-03
 H   0.8385000      -2.364400     -0.2906000    
 H   -2.579800     -0.9431000       1.628900    
 H   -2.832500      0.2859000      0.3972000    
 H   -4.200300      -1.362000     -0.9444000    
 H   -3.923500      -2.570800      0.3147000    
 H   -1.766900      0.8619000      -1.706600    
 H    3.170900      -2.622600      -1.101200    
 H    1.274200       3.787100      0.8837000    
 H    4.378800      0.8651000       2.171500    
 H   -1.709400       3.256500      -2.136100    
 H  -0.1864000       4.731700     -0.8534000    
 H    5.492200      -2.363500     -0.3845000    
 H    6.099600     -0.6047000       1.255600    
 H   -6.661600      -1.521900     -0.5248000    
 H   -6.299900      -2.762100      0.6958000    
 H   -7.237600      -1.347700       1.147900    
 H   -4.555300       1.023500       1.245600    
 H   -5.311500      0.7397000     -0.3509000    
 H   -6.270500      0.7985000       1.133500    


%chk=000055587-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055587

0 1
S 1.645226 1.152646 1.952099
N -5.264106 -1.050951 0.914257
N 0.964379 -0.995263 -3.146366
C -0.243852 -0.493763 0.138182
C -1.564696 -1.204629 -0.253735
C 0.982870 -1.256725 -0.482150
C -0.194203 0.995263 -0.195735
C -2.794148 -0.680926 0.522152
C 2.400562 -0.988598 0.088497
C -4.092348 -1.378951 0.067679
C 0.656526 1.845749 0.556244
C 2.767702 -0.047735 1.088776
C -0.935247 1.575818 -1.255635
C 3.421276 -1.837867 -0.423317
C 0.985232 -1.106217 -1.958381
C 0.741759 3.230461 0.296922
C 4.106136 0.001991 1.561074
C -0.857368 2.958792 -1.529183
C -0.027469 3.792752 -0.746281
C 4.747846 -1.789928 0.042790
C 5.092681 -0.865735 1.054688
C -6.401518 -1.955807 0.648633
C -5.668218 0.367446 0.829005
H -0.124291 -0.587897 1.237378
H -1.739577 -1.125671 -1.345730
H -1.447757 -2.288297 -0.043576
H 0.788008 -2.334849 -0.293292
H -2.661499 -0.862088 1.606650
H -2.875903 0.413174 0.385454
H -4.281523 -1.134835 -1.013744
H -3.943366 -2.475836 0.123180
H -1.577294 0.942090 -1.875828
H 3.156098 -2.554584 -1.210602
H 1.413716 3.853881 0.895171
H 4.367893 0.745194 2.321502
H -1.439151 3.383122 -2.354615
H 0.035398 4.866356 -0.953766
H 5.501845 -2.462475 -0.378998
H 6.118416 -0.806463 1.433640
H -6.812169 -1.864553 -0.390242
H -6.086741 -3.004064 0.799676
H -7.221598 -1.740651 1.357177
H -4.847108 1.023692 1.162150
H -5.964104 0.677564 -0.207129
H -6.530016 0.543168 1.497230


