%chk=000152773.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152773

0 1
 S  -0.5116000      -1.925600      5.7999998E-02
 N   0.8599000      0.3052000      0.6111000    
 N    4.323400       1.483200      0.1247000    
 N   -1.750400      0.1317000      -1.111100    
 N   -2.661200     -0.6385000      0.9828000    
 C   0.9651000     -0.9249000      6.0300000E-02
 C    3.196000      0.6463000      9.0200000E-02
 C    2.132400      -1.432200     -0.4871000    
 C    3.264700     -0.6253000     -0.4679000    
 C    1.980900       1.060700      0.6116000    
 C   -1.781000     -0.6718000     -3.3300001E-02
 C   -3.687900       1.207300     -0.1716000    
 C   -2.723800       1.065300      -1.148600    
 C   -3.606500      0.3187000      0.8810000    
 H    2.182900      -2.425200     -0.9221000    
 H    4.194200     -0.9978000     -0.8903000    
 H    1.863800       2.042500       1.060600    
 H    4.257700       2.406000      0.5330000    
 H    5.202600       1.165800     -0.2611000    
 H   -4.457200       1.965700     -0.2272000    
 H   -2.706400       1.718400      -2.014600    
 H   -4.321000      0.3532000       1.696500    


%chk=000152773-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152773

0 1
S -0.489031 -1.449830 1.400420
N 1.507724 0.436957 1.550996
N 4.541689 1.348695 -0.377682
N -1.436567 0.487442 -0.334606
N -3.060704 -0.889052 0.861185
C 1.034333 -0.587085 0.803484
C 3.379409 0.679598 -0.015020
C 1.683138 -1.045803 -0.365301
C 2.866714 -0.408597 -0.780947
C 2.646282 1.054910 1.154136
C -1.787927 -0.500527 0.537903
C -3.822709 0.850681 -0.662593
C -2.468431 1.157134 -0.926052
C -4.067464 -0.203355 0.250138
H 1.262540 -1.878781 -0.934918
H 3.387433 -0.744356 -1.685325
H 2.998010 1.881003 1.786211
H 4.890618 2.123210 0.179898
H 5.061861 1.082910 -1.208843
H -4.639241 1.396632 -1.141290
H -2.185441 1.952450 -1.624839
H -5.085635 -0.515536 0.507945


