%chk=000100108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100108

0 1
 O  -0.5631000      0.2568000      0.9508000    
 O   -2.345900      0.6612000       2.341200    
 O   -3.784800      -1.258900      -1.734500    
 O   -5.897900     -0.6877000      -1.166500    
 N   -2.644700      0.2611000      7.5599998E-02
 C    1.749500      0.1812000       1.545300    
 C    2.146700       1.183300      0.4707000    
 C    1.925600      -1.140100      0.8106000    
 C    2.516800      0.5117000     -0.7165000    
 C    2.381100     -0.9137000     -0.5080000    
 C   0.3257000      0.3900000       2.045700    
 C    2.188900       2.565300      0.5578000    
 C    1.714500      -2.423500       1.287800    
 C    2.924400       1.224800      -1.832200    
 C    2.620100      -1.976700      -1.363700    
 C    2.599800       3.283400     -0.5667000    
 C    1.955200      -3.494300      0.4250000    
 C    2.963000       2.619900      -1.750400    
 C    2.402900      -3.273200     -0.8880000    
 C   -1.899300      0.4162000       1.225300    
 C   -4.084800      0.3694000      3.2800000E-02
 C   -4.505400       1.806100     -0.2376000    
 C   -4.688600     -0.5625000      -1.004500    
 H    2.471700      0.2359000       2.368500    
 H   0.2170000       1.386500       2.490300    
 H   7.9499997E-02 -0.3611000       2.806100    
 H    1.913700       3.081600       1.470800    
 H    1.373200      -2.598900       2.302100    
 H    3.210000      0.7267000      -2.752700    
 H    2.968000      -1.822100      -2.379600    
 H    2.641000       4.368700     -0.5271000    
 H    1.796300      -4.511800      0.7722000    
 H    3.279900       3.200200      -2.613000    
 H    2.584000      -4.122700      -1.541400    
 H   -4.471200      5.0299998E-02   1.008100    
 H   -2.147300      7.2999999E-02 -0.7899000    
 H   -5.596200       1.904400     -0.2423000    
 H   -4.106700       2.483900      0.5247000    
 H   -4.137800       2.147800      -1.212000    
 H   -4.217400      -1.850300      -2.386600    


%chk=000100108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100108

0 1
O -0.629744 0.212828 0.862520
O -2.441684 0.675139 2.304664
O -3.919865 -0.719369 -2.117845
O -6.071342 -0.593762 -1.247168
N -2.738890 0.202862 0.024110
C 1.722399 0.191032 1.490076
C 2.137821 1.175589 0.393808
C 2.001673 -1.165474 0.837528
C 2.618308 0.467185 -0.747389
C 2.533756 -0.980832 -0.473104
C 0.287804 0.373167 2.011591
C 2.106658 2.579440 0.404085
C 1.813850 -2.455804 1.358765
C 3.073656 1.168278 -1.885345
C 2.882171 -2.094956 -1.267506
C 2.560165 3.284357 -0.739947
C 2.160698 -3.575418 0.560424
C 3.040339 2.582575 -1.873665
C 2.691185 -3.394195 -0.741180
C -1.992225 0.390643 1.160846
C -4.199370 0.328274 0.062666
C -4.676691 1.809276 0.103990
C -4.849997 -0.375025 -1.123905
H 2.378540 0.320967 2.378322
H 0.142471 1.375568 2.455150
H 0.039956 -0.381882 2.780627
H 1.737719 3.131045 1.277050
H 1.404020 -2.605726 2.364734
H 3.447950 0.632476 -2.765041
H 3.293994 -1.962468 -2.274403
H 2.541318 4.379901 -0.748135
H 2.019258 -4.588931 0.952124
H 3.389340 3.142925 -2.748409
H 2.955768 -4.270493 -1.343751
H -4.573945 -0.166120 0.979349
H -2.277286 -0.046766 -0.852245
H -5.777796 1.854023 0.154169
H -4.255773 2.287286 1.003438
H -4.331561 2.355853 -0.790718
H -4.387246 -1.151567 -2.882079


