%chk=000028340.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028340

0 1
 O   0.2109000       1.270300      0.7167000    
 O    1.801500      -2.765400     -0.9597000    
 O   -2.656100      -2.295800     -2.2700001E-02
 O   -5.076800       1.021600      0.4819000    
 N    1.107300     -0.7674000      2.8700000E-02
 N  -0.4087000      -2.523600     -0.4316000    
 C    2.419700     -0.1933000     -0.1458000    
 C    2.374300      0.9705000      -1.139500    
 C    2.996100      0.2472000       1.201900    
 C    3.742800       1.627700      -1.298200    
 C    4.363200      0.9069000       1.040500    
 C    4.316500       2.064200      4.6700001E-02
 C   -1.150600     -0.6952000      0.9800000    
 C   9.7300000E-02  5.5199999E-02  0.5516000    
 C   -2.343400      0.2491000       1.122800    
 C   0.9078000      -2.069600     -0.4701000    
 C   -1.506200      -1.884600      0.1195000    
 C   -2.769900      0.8091000     -0.2342000    
 C   -3.991000       1.726500     -0.1139000    
 C   -4.434800       2.247000      -1.474400    
 H    3.106900     -0.9429000     -0.5573000    
 H    1.674300       1.761100     -0.8614000    
 H    2.037000      0.6036000      -2.117400    
 H    3.091000     -0.6223000       1.864600    
 H    2.342800      0.9540000       1.724000    
 H    3.662700       2.493900      -1.964800    
 H    4.432800      0.9216000      -1.776800    
 H    5.089800      0.1604000      0.6965000    
 H    4.715900       1.269100       2.012800    
 H    5.324900       2.468500     -9.6100003E-02
 H    3.702200       2.874000      0.4592000    
 H  -0.9221000      -1.101800       1.975400    
 H   -3.179100     -0.2919000       1.583900    
 H   -2.098200       1.075400       1.801500    
 H   -1.951700       1.369200     -0.7001000    
 H   -3.026700     -7.1999999E-03 -0.9178000    
 H  -0.5915000      -3.403800     -0.9056000    
 H   -3.747200       2.573300      0.5380000    
 H   -4.745000       1.423400      -2.127000    
 H   -5.302200       2.907200      -1.368300    
 H   -3.632900       2.804200      -1.968000    
 H   -5.820400       1.642800      0.5650000    


%chk=000028340-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028340

0 1
O 0.456169 0.882112 1.978017
O 1.167784 -2.216178 -1.475275
O -2.503791 -2.852167 1.270302
O -4.898620 0.960732 -0.104948
N 0.834721 -0.600636 0.211485
N -0.672109 -2.452282 -0.091189
C 2.126147 0.075315 -0.183882
C 1.908330 1.540626 -0.632492
C 3.204361 -0.045302 0.920934
C 3.250203 2.132642 -1.131932
C 4.537559 0.558184 0.413505
C 4.352488 2.023199 -0.050678
C -1.289680 -0.745961 1.585188
C 0.067448 -0.102005 1.291460
C -2.440937 0.262985 1.231357
C 0.485887 -1.770046 -0.515432
C -1.553959 -2.096996 0.942150
C -2.525634 0.633275 -0.264003
C -3.656186 1.639832 -0.537748
C -3.736926 2.055416 -2.016731
H 2.470861 -0.502927 -1.060842
H 1.528883 2.139821 0.213836
H 1.152072 1.572856 -1.441167
H 3.344380 -1.110405 1.188329
H 2.870671 0.490903 1.826794
H 3.101800 3.190077 -1.423148
H 3.577417 1.591305 -2.043650
H 4.920505 -0.048483 -0.433092
H 5.297118 0.502718 1.216394
H 5.308366 2.421814 -0.441711
H 4.073053 2.649705 0.820814
H -1.337870 -0.892725 2.680205
H -3.397975 -0.183971 1.549043
H -2.265839 1.171224 1.837999
H -1.573215 1.080301 -0.611793
H -2.719316 -0.269635 -0.875791
H -0.859378 -3.329152 -0.589086
H -3.493847 2.543967 0.092737
H -3.920612 1.171817 -2.654215
H -4.556815 2.779601 -2.186212
H -2.796322 2.535504 -2.344954
H -5.673993 1.545141 -0.300075


