%chk=000137948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137948

0 1
 O   0.8300000       2.949900     -6.0000001E-03
 O    2.591100       1.639300     -3.8999999E-03
 N    1.348900       1.808700     -4.6000001E-03
 C    2.507600     -0.8547000     -8.9999998E-04
 C   -3.212500     -5.6299999E-02 -2.3000001E-03
 C    1.031100     -0.6221000     -1.3000000E-03
 C   -1.688200     -0.2589000     -1.9000000E-03
 C   0.4998000      0.6676000     -3.0000000E-03
 C  -0.8830000      0.8523000     -3.3000000E-03
 C    2.836800      -2.378600      8.9999998E-04
 C    3.176000     -0.2248000       1.258900    
 C    3.277800     -0.2608000      -1.225000    
 C   0.1799000      -1.727100     -9.9999997E-05
 C   -1.202500      -1.542500     -3.9999999E-04
 C   -3.823200     -0.7070000       1.257700    
 C   -3.823700     -0.7121000      -1.259400    
 C   -3.645900       1.427200     -5.4000001E-03
 H   -1.280500       1.858500     -4.4999998E-03
 H    3.925200      -2.526500      1.4400000E-02
 H    2.454300      -2.890300      0.8926000    
 H    2.469600      -2.889800     -0.8974000    
 H    3.419500      -1.034900       1.963600    
 H    4.146800      0.2548000       1.086400    
 H    2.533800      0.4140000       1.877500    
 H    4.250700      0.1855000     -0.9899000    
 H    3.522900      -1.073100      -1.925500    
 H    2.689100      0.4106000      -1.861300    
 H   0.5066000      -2.759600     -3.0000001E-04
 H   -1.846100      -2.415600      3.9999999E-04
 H   -4.905700     -0.5387000       1.303200    
 H   -3.669100      -1.791200       1.285100    
 H   -3.383000     -0.2885000       2.170700    
 H   -3.670100      -1.796500      -1.282300    
 H   -4.906100     -0.5437000      -1.305400    
 H   -3.383500     -0.2977000      -2.174300    
 H   -4.740000       1.511000     -5.9000002E-03
 H   -3.294500       1.960800      0.8856000    
 H   -3.294000       1.957200     -0.8985000    


%chk=000137948-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000137948

0 1
O 0.867276 2.825502 1.054612
O 2.182340 2.218723 -0.698459
N 1.247367 1.975849 0.158852
C 2.667897 -0.886167 0.021931
C -3.315772 -0.064505 -0.031600
C 1.140863 -0.588980 -0.034486
C -1.779227 -0.222262 -0.033343
C 0.509501 0.685880 0.078571
C -0.895679 0.865483 0.108479
C 2.930351 -2.383143 0.367960
C 3.383163 -0.048241 1.125437
C 3.312300 -0.612399 -1.374151
C 0.218701 -1.666023 -0.164610
C -1.178721 -1.499937 -0.181364
C -3.912579 -0.888921 1.149143
C -3.887822 -0.603114 -1.377831
C -3.753616 1.413217 0.131505
H -1.272017 1.882884 0.235116
H 4.018359 -2.530444 0.490232
H 2.438583 -2.682743 1.311811
H 2.603191 -3.067726 -0.435416
H 2.898785 -0.190082 2.109162
H 4.430789 -0.390066 1.212268
H 3.417307 1.027332 0.898248
H 4.387917 -0.868922 -1.339170
H 2.836575 -1.238201 -2.152147
H 3.208305 0.444436 -1.660603
H 0.610142 -2.682168 -0.244645
H -1.808143 -2.389576 -0.297615
H -5.014933 -0.798817 1.154599
H -3.661722 -1.961856 1.068213
H -3.530592 -0.522460 2.119381
H -3.631696 -1.666106 -1.536922
H -4.990269 -0.516975 -1.382000
H -3.492475 -0.026681 -2.234058
H -4.856964 1.474627 0.125029
H -3.401653 1.843529 1.087195
H -3.379929 2.045453 -0.695122


