%chk=000058948.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058948

0 1
 S    2.906500     -0.3303000      -1.465600    
 S    2.901100     -9.2900001E-02   1.516300    
 N  -0.4291000      -1.314400      0.1069000    
 C    2.024500     -0.7756000      6.8000004E-02
 C   0.5663000     -0.3774000      3.2400001E-02
 C   -1.661600     -0.7032000      5.3800002E-02
 C   -1.434600      0.6703000     -5.8499999E-02
 C  -2.4499999E-02  0.8610000     -7.0699997E-02
 C    4.441300      0.2111000     -0.6730000    
 C    4.065400      0.9469000      0.5967000    
 C   -2.946800      -1.255300      9.6000001E-02
 C   -2.543100       1.537000     -0.1323000    
 C   -4.030900     -0.3762000      2.1199999E-02
 C   -3.834500      0.9988000     -9.1200002E-02
 H    2.092700      -1.865400      0.1576000    
 H  -0.2854000      -2.311600      0.1889000    
 H   0.4968000       1.805900     -0.1470000    
 H    4.999300      0.8624000      -1.352300    
 H    5.065500     -0.6639000     -0.4607000    
 H    4.949000       1.144600       1.210800    
 H    3.590000       1.909300      0.3766000    
 H   -3.100600      -2.325600      0.1836000    
 H   -2.404400       2.610800     -0.2201000    
 H   -5.042600     -0.7726000      5.1300000E-02
 H   -4.693200       1.662500     -0.1477000    


%chk=000058948-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058948

0 1
S 3.186228 0.184616 -1.731693
S 2.985076 -1.470765 0.850329
N -0.216752 -1.271542 0.202615
C 2.091061 -1.049716 -0.787250
C 0.704181 -0.524616 -0.559745
C -1.447090 -0.606408 0.233395
C -1.302593 0.590512 -0.557404
C 0.061989 0.619303 -1.041053
C 4.166304 0.797755 -0.211884
C 3.462487 0.345561 1.071552
C -2.657349 -0.945935 0.877221
C -2.419227 1.455450 -0.707295
C -3.746874 -0.065958 0.713929
C -3.630006 1.120354 -0.070784
H 2.105844 -1.989533 -1.365882
H 0.038394 -2.079552 0.768991
H 0.523849 1.367504 -1.680811
H 4.208006 1.898041 -0.278335
H 5.178345 0.370571 -0.284506
H 4.129577 0.398397 1.948112
H 2.543158 0.922614 1.262513
H -2.754937 -1.857055 1.478008
H -2.339202 2.367762 -1.308714
H -4.702786 -0.298226 1.196721
H -4.500583 1.777066 -0.177031


