%chk=000064347.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064347

0 1
 S    3.307000      -1.939200      0.4492000    
 N    1.368500      0.8192000      0.4118000    
 N    3.657600       1.443700      1.7800000E-02
 C  -0.6354000     -0.2865000       1.331900    
 C  -0.3340000     -3.3399999E-02  -1.160800    
 C   -2.074000       1.344300      4.6000000E-02
 C   -2.414800      -1.135600     -0.2470000    
 C   0.3900000     -0.2507000      0.1821000    
 C   -1.351100       1.078100       1.380300    
 C   -1.688100      -1.385600       1.085200    
 C   -1.050500       1.330500      -1.105500    
 C   -1.388200      -1.134200      -1.392200    
 C   -3.112400      0.2345000     -0.1922000    
 C    2.556700      0.6188000     -4.6100002E-02
 C    2.768800     -0.7040000     -0.7604000    
 H  -0.1284000     -0.4644000       2.287700    
 H   0.3555000     -1.2000000E-02  -2.010000    
 H   -2.576000       2.317400      8.4100001E-02
 H   -3.157900      -1.922600     -0.4167000    
 H   0.7909000      -1.263200      0.2148000    
 H  -0.6429000       1.887500       1.593400    
 H   -2.079000       1.083600       2.201700    
 H   -2.411500      -1.402700       1.909600    
 H   -1.203000      -2.369200       1.067700    
 H   -1.565400       1.515700      -2.057000    
 H  -0.3320000       2.149300     -0.9819000    
 H  -0.8953000      -2.112100      -1.455300    
 H   -1.896700     -0.9710000      -2.350400    
 H   -3.860500      0.2424000      0.6100000    
 H   -3.650000      0.4191000      -1.130400    
 H    1.979200      -1.084400      -1.401700    
 H    3.614900     -0.5715000      -1.447000    
 H    3.602900       2.348000      0.4738000    
 H    4.554400       1.178400     -0.3754000    
 H    4.377100      -1.266000      0.8974000    


%chk=000064347-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064347

0 1
S 3.362701 -1.837780 1.458829
N 1.426347 0.712351 -0.346944
N 3.642354 1.369487 -0.057777
C -0.408212 -0.344326 0.977539
C -0.700305 0.134165 -1.499802
C -2.087787 1.397590 0.210585
C -2.533464 -1.066978 -0.212899
C 0.332050 -0.269141 -0.400430
C -1.060212 1.022918 1.314232
C -1.506343 -1.438529 0.892361
C -1.347629 1.500590 -1.151191
C -1.798709 -0.960885 -1.577307
C -3.185912 0.301470 0.128525
C 2.682677 0.365520 -0.251191
C 3.280478 -1.038267 -0.273231
H 0.332678 -0.615531 1.754444
H -0.171582 0.209893 -2.470674
H -2.554450 2.373264 0.453604
H -3.315950 -1.849746 -0.272979
H 0.685244 -1.303552 -0.632428
H -0.277777 1.801392 1.382526
H -1.564343 0.959231 2.300258
H -2.017980 -1.526896 1.871999
H -1.049597 -2.425389 0.672946
H -2.058276 1.790811 -1.951833
H -0.561021 2.275531 -1.097696
H -1.348885 -1.939709 -1.843647
H -2.520858 -0.705693 -2.378989
H -3.727283 0.232132 1.094008
H -3.931987 0.568841 -0.647519
H 2.657284 -1.730505 -0.858446
H 4.298947 -1.036839 -0.696282
H 3.304999 2.330538 -0.019083
H 4.630216 1.198653 -0.228544
H 3.968986 -0.752414 2.071537


