%chk=000003548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003548

0 1
 S   -1.024500      0.6745000      -1.336000    
 N   -2.757900      -1.782200      0.3725000    
 N    3.471500      -2.087300      1.9500000E-02
 C   -2.132500       1.197000      1.8999999E-02
 C   -3.610500       1.187700     -0.3964000    
 C   -1.892000      0.4327000       1.327600    
 C   -4.243300     -0.1620000     -0.7342000    
 C   -1.835100      -1.097500       1.270000    
 C   -4.106500      -1.236600      0.3429000    
 C   0.5781000      0.9331000     -0.5884000    
 C    1.536500     -8.3499998E-02 -0.3902000    
 C   0.8632000       2.244800     -0.1868000    
 C    2.772100      0.2340000      0.2109000    
 C    2.084800       2.554500      0.4067000    
 C    1.291500      -1.406200     -0.7770000    
 C    3.037600       1.555600      0.6061000    
 C    3.689000     -0.8043000      0.3864000    
 C    2.278100      -2.354100     -0.5526000    
 H   -1.906700       2.250700      0.2231000    
 H   -3.748100       1.856800      -1.256400    
 H   -4.196600       1.638600      0.4163000    
 H   -2.678200      0.7215000       2.039200    
 H  -0.9623000      0.7843000       1.793700    
 H   -5.313300      7.3000002E-03 -0.9121000    
 H   -3.843500     -0.5346000      -1.685800    
 H  -0.8218000      -1.419300       1.018800    
 H   -2.004500      -1.469900       2.289000    
 H   -4.439600     -0.8826000       1.325400    
 H   -4.784500      -2.055000      7.0299998E-02
 H   -2.791400      -2.767600      0.6335000    
 H   0.1550000       3.055400     -0.3423000    
 H    2.297900       3.575200      0.7106000    
 H   0.3700000      -1.729000      -1.248600    
 H    3.986500       1.814800       1.069800    
 H    4.659200     -0.6280000      0.8429000    
 H    2.126300      -3.389600     -0.8396000    


%chk=000003548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003548

0 1
S -0.862907 -0.478031 -0.384227
N -3.708443 -1.725421 0.188077
N 4.543498 -1.466867 -0.085348
C -1.993177 0.552317 0.789214
C -3.082925 1.332702 0.013067
C -2.538909 -0.342781 1.928516
C -4.054244 0.510290 -0.862450
C -3.079108 -1.736524 1.513053
C -4.706958 -0.694963 -0.140966
C 0.699283 0.506450 -0.320582
C 1.962055 -0.189747 -0.232822
C 0.690225 1.905452 -0.411162
C 3.187989 0.584861 -0.247769
C 1.903704 2.659934 -0.398956
C 2.092292 -1.613543 -0.126489
C 3.138528 2.012746 -0.326295
C 4.434316 -0.128226 -0.174462
C 3.361182 -2.192251 -0.057714
H -1.297753 1.286212 1.235493
H -2.590537 2.089130 -0.629812
H -3.666433 1.897013 0.773434
H -3.343827 0.233885 2.428922
H -1.747144 -0.498606 2.685587
H -4.844545 1.190782 -1.242512
H -3.506478 0.112400 -1.737317
H -2.233573 -2.448440 1.467446
H -3.759780 -2.085649 2.330350
H -5.254652 -0.348093 0.766059
H -5.467513 -1.136041 -0.813856
H -3.889606 -2.651954 -0.201415
H -0.261432 2.437714 -0.517562
H 1.851766 3.752040 -0.467800
H 1.195159 -2.238805 -0.093290
H 4.075392 2.581825 -0.333620
H 5.376051 0.436776 -0.190407
H 3.483005 -3.277386 0.025415


