%chk=000110669.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110669

0 1
 S    2.968600      0.8639000      0.3338000    
 N  -1.4400000E-02 -1.1100000E-02  0.3165000    
 N   -3.570200      -1.013800     -0.1366000    
 C   -1.363500     -0.4130000      0.7352000    
 C   -2.238700     -0.5943000     -0.5092000    
 C   0.9303000      -1.041900      8.0499999E-02
 C   0.2218000       1.372500      0.1158000    
 C   -1.259600      -1.695300       1.560900    
 C    2.311400     -0.7660000      4.0700000E-02
 C    1.532800       1.887600      7.9800002E-02
 C   0.5364000      -2.376600     -0.1596000    
 C  -0.8325000       2.288700     -9.1899998E-02
 C   -4.401500      -1.250300      -1.324100    
 C   -4.214700     -1.9099999E-02  0.7307000    
 C    3.243500      -1.790600     -0.2015000    
 C    1.761700       3.259700     -0.1268000    
 C    1.466700      -3.390300     -0.4045000    
 C  -0.5992000       3.650600     -0.3017000    
 C    2.822000      -3.097700     -0.4223000    
 C   0.6992000       4.137000     -0.3159000    
 H   -1.750100      0.3584000       1.411000    
 H   -2.282900      0.3089000      -1.126100    
 H   -1.807600      -1.344900      -1.179600    
 H   -1.635100      -2.614600       1.100900    
 H  -0.3261000      -1.842900       2.116100    
 H   -1.987000      -1.577500       2.381400    
 H  -0.4768000      -2.685500     -0.3720000    
 H   -1.876300       1.999900     -6.2600002E-02
 H   -3.948900      -2.016600      -1.963100    
 H   -4.539400     -0.3400000      -1.918800    
 H   -5.388100      -1.628700      -1.034100    
 H   -5.266600     -0.2849000      0.8930000    
 H   -4.191600      0.9877000      0.2982000    
 H   -3.777200      7.4999998E-03   1.732400    
 H    4.310900      -1.579900     -0.2230000    
 H    2.773300       3.660200     -0.1424000    
 H    1.126500      -4.398300     -0.6242000    
 H   -1.435800       4.328200     -0.4453000    
 H    3.548300      -3.879800     -0.6203000    
 H   0.8857000       5.194700     -0.4745000    


%chk=000110669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000110669

0 1
S 2.829602 0.688486 1.140448
N -0.017311 -0.106532 0.293005
N -3.790131 -0.783927 0.084198
C -1.379815 -0.526965 0.758618
C -2.387253 -0.886795 -0.382789
C 0.982161 -1.055620 -0.084656
C 0.254968 1.292895 0.172904
C -1.309347 -1.647006 1.817100
C 2.358466 -0.806376 0.185447
C 1.545813 1.814419 0.468622
C 0.659143 -2.262840 -0.763415
C -0.748507 2.210822 -0.242866
C -4.711875 -1.667855 -0.659121
C -4.294311 0.602726 0.150234
C 3.363881 -1.711421 -0.208421
C 1.830487 3.187938 0.338812
C 1.659110 -3.193636 -1.118155
C -0.477769 3.593730 -0.330867
C 3.018327 -2.924052 -0.847126
C 0.813094 4.090985 -0.047039
H -1.779225 0.370204 1.266690
H -2.187755 -0.246214 -1.278679
H -2.226198 -1.934587 -0.695008
H -0.834317 -2.561836 1.423537
H -0.734689 -1.314695 2.698817
H -2.339511 -1.890157 2.129753
H -0.378322 -2.472314 -1.030744
H -1.740571 1.842404 -0.516380
H -4.356945 -2.711886 -0.599866
H -4.818082 -1.397362 -1.739989
H -5.715915 -1.623775 -0.199650
H -5.316647 0.603731 0.567761
H -4.329217 1.103313 -0.851948
H -3.665008 1.216633 0.817355
H 4.412156 -1.471583 -0.000052
H 2.840270 3.549784 0.560518
H 1.371818 -4.120889 -1.626132
H -1.274633 4.277611 -0.643503
H 3.798715 -3.636249 -1.133511
H 1.030643 5.160791 -0.127101


