%chk=000005913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005913

0 1
 S   -2.782600     -0.3459000      -1.457600    
 O    1.424800      -2.895600      0.8107000    
 N   -3.995100       4.434300      0.2125000    
 N  -0.2199000      -1.575200     -0.2299000    
 C   -3.421400       2.163400     -0.5157000    
 C   -3.775700       3.066100      0.6666000    
 C   -3.210900      0.7234000     -5.3800002E-02
 C   -2.780100       4.975300     -0.3992000    
 C   -4.425100       5.283800       1.324500    
 C   -2.597000      -1.932300     -0.6511000    
 C   -1.372400      -2.362800     -0.1391000    
 C   -3.723400      -2.748500     -0.5412000    
 C   -1.274500      -3.607900      0.4821000    
 C   -3.625400      -3.993500      8.0100000E-02
 C   -2.401100      -4.423200      0.5917000    
 C    1.066000      -1.875700      0.2341000    
 C    2.027300     -0.7684000     -5.7500001E-02
 C    4.335400      0.1600000      9.8899998E-02
 C    3.308400     -0.8723000      0.3260000    
 C    4.130900       1.115700     -0.8831000    
 C    5.485300      0.1546000      0.8717000    
 C    5.103000       2.092500      -1.098400    
 C    6.457400       1.131600      0.6563000    
 C    6.266100       2.100600     -0.3287000    
 H   -4.221800       2.205900      -1.265700    
 H   -2.493500       2.489900     -0.9978000    
 H   -2.984600       3.019400       1.426700    
 H   -4.693000       2.682500       1.131200    
 H   -2.403700      0.6782000      0.6853000    
 H   -4.123300      0.3414000      0.4166000    
 H   -2.582600       4.531700      -1.379600    
 H   -2.898500       6.048000     -0.5964000    
 H   -1.897700       4.852200      0.2394000    
 H   -5.351700       4.900300       1.766200    
 H   -3.666700       5.347200       2.113300    
 H   -4.644100       6.298200      0.9729000    
 H   -4.687900      -2.433500     -0.9324000    
 H  -0.3730000      -4.023200      0.9064000    
 H  -0.3571000     -0.6792000     -0.6932000    
 H   -4.502400      -4.628400      0.1657000    
 H   -2.326600      -5.393000       1.075200    
 H    1.631800      0.1072000     -0.5591000    
 H    3.652400      -1.759700      0.8523000    
 H    3.253000       1.135400      -1.520800    
 H    5.648300     -0.5928000       1.643700    
 H    4.957200       2.844200      -1.868700    
 H    7.363100       1.138000       1.255600    
 H    7.023600       2.860500     -0.4971000    


%chk=000005913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005913

0 1
S -2.772189 -0.499290 -1.561406
O 1.327633 -2.773462 1.073523
N -3.737343 4.462189 0.192465
N -0.315096 -1.673990 -0.211812
C -3.224306 2.102619 -0.546326
C -3.602129 3.048817 0.617503
C -3.250592 0.635573 -0.091648
C -2.457673 5.073711 -0.221658
C -4.423451 5.278757 1.216294
C -2.667207 -2.116682 -0.664905
C -1.430666 -2.528955 -0.070571
C -3.804339 -2.945539 -0.590288
C -1.377412 -3.773663 0.617679
C -3.744299 -4.184201 0.088964
C -2.529299 -4.583459 0.691698
C 0.973644 -1.808454 0.322451
C 1.888097 -0.703091 -0.075783
C 4.211022 0.327717 0.085833
C 3.177685 -0.675076 0.377487
C 3.998926 1.443239 -0.777333
C 5.491947 0.180770 0.692760
C 5.028755 2.372230 -1.019305
C 6.523839 1.111588 0.451610
C 6.296439 2.212451 -0.406049
H -3.941498 2.264232 -1.372694
H -2.216118 2.346689 -0.931783
H -2.852344 2.933423 1.446445
H -4.581618 2.731298 1.025676
H -2.529529 0.439704 0.720723
H -4.256341 0.323303 0.236090
H -2.030509 4.532495 -1.082587
H -2.637073 6.116180 -0.539035
H -1.692377 5.087633 0.597286
H -5.414041 4.843135 1.438251
H -3.855801 5.357747 2.178954
H -4.580140 6.301773 0.829920
H -4.732206 -2.614619 -1.068105
H -0.434389 -4.075250 1.077475
H -0.507741 -0.857586 -0.811792
H -4.631538 -4.823372 0.143954
H -2.471485 -5.539931 1.223272
H 1.494832 0.077539 -0.740790
H 3.465911 -1.505830 1.038998
H 3.026822 1.581862 -1.263648
H 5.670016 -0.673397 1.357432
H 4.849944 3.222678 -1.686719
H 7.501099 0.979619 0.928638
H 7.095339 2.937278 -0.597542


