%chk=000098152.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098152

0 1
 O   0.9022000       1.081100      -1.110400    
 N    3.664700     -0.9558000     -0.1604000    
 C    1.122000      0.4913000      0.1744000    
 C    2.451900       1.010200      0.7428000    
 C    1.189600      -1.031900     -9.2000002E-03
 C  -5.0500002E-02  0.8787000       1.075000    
 C    3.648700      0.5054000     -6.7699999E-02
 C    2.439000      -1.453800     -0.7879000    
 C   -1.357400      0.3758000      0.5280000    
 C   -2.089400       1.174300     -0.3413000    
 C   -1.817300     -0.8815000      0.8983000    
 C   -3.301900      0.7078000     -0.8490000    
 C   -3.029700      -1.348000      0.3905000    
 C   -3.772000     -0.5534000     -0.4832000    
 H    2.564100      0.6880000       1.786300    
 H    2.466300       2.106900      0.7362000    
 H   0.3369000      -1.405100     -0.5867000    
 H    1.193000      -1.534800      0.9664000    
 H  -0.1077000       1.971200       1.175100    
 H   9.5500000E-02  0.4929000       2.092500    
 H    3.645700      0.9471000      -1.071700    
 H    4.572400      0.8358000      0.4202000    
 H    2.483200      -2.548000     -0.8230000    
 H    2.380100      -1.106400      -1.826700    
 H    4.469000      -1.248800     -0.7143000    
 H   0.8955000       2.047300      -1.000100    
 H   -1.735600       2.159500     -0.6321000    
 H   -1.256100      -1.507000       1.586700    
 H   -3.880200       1.326700      -1.528700    
 H   -3.397200      -2.329000      0.6773000    
 H   -4.716400     -0.9164000     -0.8779000    


%chk=000098152-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000098152

0 1
O 1.060384 1.242676 -1.147789
N 3.694942 -0.933415 -0.221090
C 1.172300 0.504185 0.142485
C 2.487727 0.915381 0.859495
C 1.220926 -0.985357 -0.258250
C -0.053095 0.843143 1.052116
C 3.731866 0.523621 0.036307
C 2.513035 -1.329900 -1.026266
C -1.401373 0.346757 0.552259
C -2.059813 0.967131 -0.542284
C -2.033483 -0.761197 1.174261
C -3.307540 0.490690 -1.002510
C -3.282745 -1.241077 0.718769
C -3.925438 -0.615645 -0.373939
H 2.539142 0.400927 1.837645
H 2.484027 2.009007 1.052810
H 0.338651 -1.218266 -0.880236
H 1.168200 -1.598608 0.661100
H -0.074274 1.946496 1.176519
H 0.144019 0.417299 2.054904
H 3.743748 1.126214 -0.905716
H 4.647543 0.764918 0.607305
H 2.556512 -2.419914 -1.206086
H 2.480191 -0.815488 -2.015673
H 4.574585 -1.278324 -0.626917
H 1.161480 2.211493 -0.957288
H -1.583583 1.815781 -1.044354
H -1.542633 -1.251128 2.024864
H -3.798322 0.982308 -1.850520
H -3.753334 -2.096964 1.216268
H -4.895244 -0.982644 -0.728790


