%chk=000013270.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013270

0 1
 S  -0.7637000       3.187000      0.6852000    
 N    1.769400      -1.028100     -0.2840000    
 N  -0.5706000      -1.176800     -0.2249000    
 N   0.5372000      0.9156000      0.1646000    
 N   -2.913200      -1.263200     -0.1512000    
 N   -1.858300      0.7955000      0.2327000    
 C    3.035600     -0.3318000     -0.1908000    
 C    4.172500      -1.329300      6.1299998E-02
 C    3.264200      0.4394000      -1.486700    
 C    3.983300      -2.122700       1.348000    
 C   0.5432000     -0.4121000     -0.1099000    
 C   -1.722900     -0.5117000     -4.2800002E-02
 C   -4.211000     -0.6883000      1.7999999E-02
 C  -0.6867000       1.445400      0.3217000    
 C   -5.301900      -1.725300     -0.1888000    
 C   0.7230000       3.806500     -0.1524000    
 H    3.020900      0.3744000      0.6495000    
 H    5.125800     -0.7897000      0.1162000    
 H    4.252300      -2.033900     -0.7761000    
 H    4.228200      0.9588000      -1.462000    
 H    3.264900     -0.2310000      -2.353800    
 H    2.489600       1.194000      -1.656600    
 H    1.757300      -2.005300     -0.5532000    
 H    3.096900      -2.762800       1.303500    
 H    4.850200      -2.769000       1.520000    
 H    3.884400      -1.454400       2.209300    
 H   -4.310700     -0.2680000       1.025600    
 H   -4.362600      0.1260000     -0.7002000    
 H   -2.808900      -2.250200     -0.3562000    
 H   -5.251100      -2.152200      -1.196100    
 H   -5.202500      -2.547200      0.5282000    
 H   -6.289700      -1.273000     -5.7300001E-02
 H   0.7473000       4.896800     -7.5999998E-02
 H   0.7086000       3.531600      -1.210600    
 H    1.625600       3.407000      0.3179000    


%chk=000013270-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013270

0 1
S -0.883000 3.273069 0.427933
N 1.723809 -1.035251 -0.433847
N -0.602056 -1.203588 -0.318911
N 0.513779 0.956218 -0.044288
N -2.935908 -1.278262 -0.180479
N -1.912764 0.821706 0.096978
C 3.034547 -0.352037 -0.456544
C 4.128997 -1.323863 0.048690
C 3.350182 0.196202 -1.869220
C 3.951645 -1.750155 1.521354
C 0.516506 -0.411465 -0.263308
C -1.788968 -0.534388 -0.132939
C -4.284489 -0.715763 0.005072
C -0.725858 1.485248 0.126921
C -5.345421 -1.817305 -0.152535
C 0.923711 3.792139 0.400416
H 2.952854 0.502964 0.239604
H 5.109422 -0.826591 -0.081264
H 4.149572 -2.219092 -0.609171
H 4.301400 0.760241 -1.864360
H 3.440715 -0.627432 -2.602102
H 2.545780 0.874340 -2.202112
H 1.675198 -2.036328 -0.635423
H 2.970808 -2.232040 1.684914
H 4.738454 -2.463219 1.827670
H 4.006308 -0.874249 2.194112
H -4.354119 -0.245385 1.004432
H -4.446936 0.093671 -0.730982
H -2.816310 -2.278519 -0.346415
H -5.305139 -2.272474 -1.159498
H -5.210490 -2.617256 0.599304
H -6.354477 -1.392582 -0.014088
H 0.917420 4.883520 0.549810
H 1.371931 3.530995 -0.568248
H 1.469498 3.288929 1.210623


