%chk=000100798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100798

0 1
 S   0.4330000       2.720300     -0.3570000    
 O   0.3341000      -2.307700      0.3866000    
 N    2.089300      0.6629000      0.2713000    
 N  -5.4800000E-02  1.8700000E-02  0.1616000    
 C    2.140000     -0.7412000      0.5677000    
 C    3.208800      -1.253700     -0.3729000    
 C    4.219300     -9.9399999E-02 -0.3544000    
 C    3.346800       1.155600     -0.2756000    
 C   0.7031000      -1.141000      0.3333000    
 C   0.7887000       1.138700      6.5399997E-02
 C   -1.477600     -3.5000001E-03  4.3400001E-02
 C   -2.114500      -1.111500     -0.5161000    
 C   -2.231800       1.082400      0.4885000    
 C   -3.504500      -1.133600     -0.6306000    
 C   -3.621700       1.060500      0.3742000    
 C   -4.258100     -4.7499999E-02 -0.1854000    
 H    2.405700     -0.8637000       1.623000    
 H    2.814000      -1.399500      -1.385800    
 H    3.645600      -2.199000     -3.9000001E-02
 H    4.845300     -0.1724000      0.5434000    
 H    4.878500     -9.7700000E-02  -1.226800    
 H    3.766300       1.918500      0.3858000    
 H    3.171200       1.582800      -1.267700    
 H   -1.569000      -1.957800     -0.9198000    
 H   -1.797000       1.925600       1.012200    
 H   -4.000000      -1.991700      -1.075400    
 H   -4.210700       1.896900      0.7391000    
 H   -5.340500     -6.5600000E-02 -0.2723000    


%chk=000100798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100798

0 1
S 0.399030 2.587019 -0.753838
O 0.252426 -2.349354 0.720341
N 2.084404 0.702245 0.315553
N -0.045232 -0.033554 0.178102
C 2.157094 -0.738875 0.650084
C 3.228754 -1.269824 -0.337873
C 4.231868 -0.077758 -0.384023
C 3.347215 1.206756 -0.275589
C 0.702293 -1.197200 0.522291
C 0.815709 1.096355 -0.058299
C -1.479924 -0.018373 0.035763
C -2.123963 -1.068014 -0.660593
C -2.234440 1.027051 0.618977
C -3.531118 -1.066499 -0.772714
C -3.639330 1.024268 0.490458
C -4.292750 -0.020774 -0.203382
H 2.484870 -0.899004 1.695721
H 2.774251 -1.442017 -1.330165
H 3.688281 -2.210503 0.003262
H 4.925950 -0.136240 0.474113
H 4.837372 -0.076547 -1.305054
H 3.804612 1.982879 0.360837
H 3.119572 1.664407 -1.256063
H -1.535019 -1.879008 -1.096404
H -1.726507 1.833758 1.154095
H -4.029474 -1.881784 -1.308026
H -4.222232 1.837374 0.936155
H -5.384211 -0.020384 -0.297029


