%chk=000178771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178771

0 1
 S    2.796200      0.9777000      -1.370300    
 N    2.331200     -0.3922000      0.7721000    
 N   -3.670900     -0.8055000     -0.5763000    
 N   0.4159000      0.4083000     -0.3884000    
 N  -0.2039000     -0.1709000      0.5340000    
 N   -1.676900      -2.031600     -0.9568000    
 N   -5.668600      0.4337000     -0.1875000    
 C    4.142400      0.3770000     -0.4938000    
 C    3.701000     -0.3239000      0.6089000    
 C    1.800800      0.2538000     -0.2063000    
 C    5.516300      0.6439000     -0.9641000    
 C    4.554700     -0.9949000       1.610700    
 C   -1.582900     -1.7100001E-02  0.3532000    
 C   -2.338300     -0.9193000     -0.3785000    
 C   -2.237200       1.072000      0.9182000    
 C   -3.607500       1.223400      0.7369000    
 C   -4.272200      0.2658000     -1.1900000E-02
 H    6.265200      0.2104000     -0.2938000    
 H    5.677700      0.2150000      -1.958800    
 H    5.708200       1.720800      -1.017900    
 H    5.210200     -0.2718000       2.106300    
 H    3.950100      -1.482800       2.382000    
 H    5.176400      -1.761600       1.137500    
 H   -1.689200       1.806900       1.501700    
 H   -4.124900       2.070300       1.175700    
 H  -0.6968000      -1.937000      -1.193000    
 H   -2.242800      -2.675500      -1.495500    
 H   -6.149100     -0.2653000     -0.7406000    
 H   -6.047100       1.372700     -0.1675000    


%chk=000178771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178771

0 1
S 2.997419 1.917263 -0.257251
N 2.485592 -0.672978 0.206013
N -3.933504 -0.939816 0.139871
N 0.503556 0.804233 -0.094582
N -0.326233 -0.221329 0.074120
N -2.032651 -2.286197 0.422831
N -5.843885 0.355224 -0.135538
C 4.361619 0.761752 -0.025055
C 3.873605 -0.533241 0.202736
C 1.851412 0.480004 -0.013758
C 5.790815 1.220595 -0.086036
C 4.734285 -1.754120 0.438920
C -1.683099 0.079093 -0.004365
C -2.574294 -1.053095 0.186190
C -2.280530 1.351858 -0.250774
C -3.668949 1.476974 -0.301016
C -4.465650 0.293902 -0.098196
H 6.470983 0.370114 0.089886
H 6.042342 1.655317 -1.071932
H 6.009222 1.990788 0.677559
H 5.367510 -1.643880 1.338571
H 4.080570 -2.628288 0.582443
H 5.403043 -1.958445 -0.417486
H -1.618838 2.211245 -0.395898
H -4.150124 2.442019 -0.489076
H -1.012519 -2.351514 0.451138
H -2.641505 -3.089108 0.558125
H -6.368129 -0.504858 0.013444
H -6.334062 1.228786 -0.304682


