%chk=000028182.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028182

0 1
 S    3.589000       1.146500      0.3890000    
 N   -1.273500      0.9366000     -0.1074000    
 N  -0.1661000      0.1833000     -0.2262000    
 C   -3.035500      -1.364500      0.7460000    
 C   -3.846000     -0.7420000     -0.3870000    
 C   -2.403800     -0.3790000       1.729200    
 C   -2.971100     -0.2562000      -1.544000    
 C   -1.962100      0.9771000       1.176800    
 C   -2.168600       1.012400      -1.256500    
 C   0.9170000      0.8331000      5.8800001E-02
 C    2.228500      0.2088000     -8.5000005E-03
 C    2.529400      -1.071300     -0.3589000    
 C    3.933900      -1.303700     -0.3019000    
 C    4.628800     -0.1810000      9.0700001E-02
 H   -3.687200      -2.036400       1.319200    
 H   -2.251100      -2.005700      0.3240000    
 H   -4.514100      -1.516500     -0.7847000    
 H   -4.489600      6.3500002E-02 -1.5400000E-02
 H   -3.119400     -0.1888000       2.539900    
 H   -1.546200     -0.8746000       2.202400    
 H   -2.293700      -1.060100      -1.859000    
 H   -3.622100     -5.3199999E-02  -2.403800    
 H   -2.829200       1.648300       1.123500    
 H   -1.300100       1.444100       1.917700    
 H   -1.576300       1.255300      -2.148400    
 H   -2.857200       1.858600      -1.136200    
 H   0.8794000       1.898100      0.3624000    
 H    1.801600      -1.820200     -0.6442000    
 H    4.410500      -2.246500     -0.5370000    
 H    5.697200     -7.6800004E-02  0.2168000    


%chk=000028182-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028182

0 1
S 3.223987 -0.284094 1.590717
N -1.383757 0.977387 -0.386140
N -0.125899 0.474215 -0.572612
C -2.817460 -1.151466 1.019155
C -3.784564 -0.886930 -0.170644
C -2.366211 0.100197 1.816894
C -3.055362 -0.568757 -1.501867
C -1.959966 1.318810 0.930175
C -2.307392 0.787264 -1.520980
C 0.731621 0.375855 0.439443
C 2.085359 -0.082072 0.185385
C 2.725188 -0.427244 -1.007680
C 4.089614 -0.848420 -0.838116
C 4.524733 -0.833057 0.479943
H -3.294561 -1.849995 1.734161
H -1.922384 -1.674887 0.627942
H -4.404552 -1.790547 -0.329939
H -4.491974 -0.069973 0.084789
H -3.187666 0.435671 2.480640
H -1.529350 -0.192504 2.479044
H -2.327316 -1.377561 -1.709525
H -3.783175 -0.566090 -2.338974
H -2.851928 1.934527 0.718296
H -1.249526 1.969800 1.478578
H -1.712386 0.876842 -2.445709
H -3.040986 1.616744 -1.500041
H 0.475855 0.638440 1.479612
H 2.211422 -0.368865 -1.969145
H 4.733596 -1.150469 -1.668256
H 5.497440 -1.093621 0.892152


