%chk=000023868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023868

0 1
 S    1.097500       2.462000     -0.2108000    
 O   -1.106500      -1.715700      -1.435000    
 N   -2.971100      0.1728000      0.6969000    
 C  -0.2075000      0.2959000     -0.6079000    
 C    1.099100     -0.1234000     -0.1871000    
 C   -2.750300     -0.1226000     -0.7140000    
 C   -1.299700     -0.5814000     -0.9486000    
 C    1.925800      0.9754000      6.6600002E-02
 C  -0.3391000       1.663200     -0.6619000    
 C    1.635400      -1.421000     -4.0000002E-03
 C    3.258500      0.8116000      0.4928000    
 C   -2.724600      -1.014800       1.516700    
 C   -4.332400      0.6656000      0.9134000    
 C    2.956800      -1.586800      0.4192000    
 C    3.758100     -0.4809000      0.6639000    
 H   -3.421400     -0.9170000      -1.067000    
 H   -2.937000      0.7535000      -1.345900    
 H   -1.199600       2.250800     -0.9493000    
 H    1.030900      -2.306500     -0.1808000    
 H    3.893000       1.671700      0.6873000    
 H   -3.355900      -1.860700       1.220200    
 H   -2.929200     -0.7959000       2.571400    
 H   -1.677700      -1.332200       1.479900    
 H   -4.508000       1.576200      0.3299000    
 H   -4.482200      0.9340000       1.965100    
 H   -5.090300     -7.5300001E-02  0.6340000    
 H    3.356400      -2.587500      0.5580000    
 H    4.784400     -0.6197000      0.9929000    


%chk=000023868-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023868

0 1
S 1.005443 2.265659 0.845411
O -0.926315 -2.109449 -0.834764
N -3.222442 0.286659 0.567337
C -0.159554 0.025137 -0.037122
C 1.281641 -0.265686 -0.042755
C -2.682955 -0.466163 -0.590567
C -1.211822 -0.924557 -0.472617
C 2.062524 0.846109 0.404482
C -0.442355 1.313546 0.406117
C 1.963275 -1.455037 -0.422982
C 3.467998 0.810442 0.481185
C -3.244856 -0.532149 1.800936
C -4.548417 0.870665 0.263850
C 3.368826 -1.502141 -0.348120
C 4.119831 -0.381875 0.099068
H -3.267244 -1.392460 -0.810077
H -2.752428 0.187729 -1.484026
H -1.444289 1.723660 0.543616
H 1.376597 -2.310867 -0.764270
H 4.041523 1.676735 0.825963
H -3.897498 -1.434650 1.709618
H -3.612085 0.080356 2.642863
H -2.223477 -0.871290 2.045922
H -4.471432 1.540965 -0.611127
H -4.893390 1.468390 1.125944
H -5.328619 0.100785 0.042872
H 3.892352 -2.419138 -0.639837
H 5.212567 -0.440075 0.148982


