%chk=000020144.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020144

0 1
 O   -3.961800       2.492000     -3.6100000E-02
 N  -0.6405000      -1.067900     -0.7770000    
 N    2.138700     -0.3730000     -0.3546000    
 C   -2.376100      0.7044000     -0.5282000    
 C   -1.447500     -0.3118000      0.1805000    
 C   -4.097800      0.4492000       1.254400    
 C   -3.182800       1.450400      0.5439000    
 C   -2.179300      -1.278400       1.123500    
 C   -3.239700     -0.5940000       1.990200    
 C   -3.333700      0.1040000      -1.580600    
 C   -5.095200     -0.1745000      0.2599000    
 C   -4.465200     -0.7493000      -1.008700    
 C   8.4799998E-02 -0.1975000      -1.707700    
 C   0.2903000      -1.990500     -0.1194000    
 C    1.261300      0.5537000      -1.077100    
 C    1.475600      -1.304900      0.5669000    
 C    3.458100      1.9000000E-03 -7.3899999E-02
 C    3.802500       1.354200      0.1229000    
 C    4.481700     -0.9621000      2.1500001E-02
 C    5.116900       1.727300      0.4037000    
 C    5.796000     -0.5889000      0.3024000    
 C    6.113700      0.7557000      0.4935000    
 H   -1.780600       1.474100      -1.033400    
 H  -0.7871000      0.2884000      0.8222000    
 H   -4.695400      0.9852000       2.003800    
 H   -2.510900       1.923100       1.270800    
 H   -1.476200      -1.741300       1.826800    
 H   -2.634500      -2.107300      0.5731000    
 H   -3.880700      -1.353800       2.453100    
 H   -2.725400     -8.5699998E-02   2.817100    
 H   -2.785900     -0.4795000      -2.328600    
 H   -3.789800      0.9334000      -2.138000    
 H   -5.812300      0.6009000     -4.0700000E-02
 H   -5.687400     -0.9519000      0.7575000    
 H   -4.103200      -1.763000     -0.8168000    
 H   -5.244100     -0.8710000      -1.771900    
 H  -0.5526000      0.4875000      -2.272300    
 H   0.4961000     -0.8506000      -2.491700    
 H   0.6982000      -2.642200     -0.9061000    
 H  -0.1950000      -2.697000      0.5598000    
 H   -3.350000       3.097900     -0.4879000    
 H    1.814900       1.047800      -1.885600    
 H   0.8937000       1.333700     -0.3997000    
 H    1.148300     -0.7634000       1.462500    
 H    2.164200      -2.088200      0.9046000    
 H    3.051200       2.138400      7.3799998E-02
 H    4.261500      -2.015500     -0.1372000    
 H    5.364200       2.774000      0.5553000    
 H    6.572800      -1.345000      0.3692000    
 H    7.137100       1.046200      0.7121000    


%chk=000020144-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020144

0 1
O -4.127506 2.495663 0.300530
N -0.664449 -0.923611 -0.965125
N 2.216985 -0.389417 -0.518785
C -2.459662 0.772484 -0.446184
C -1.434364 -0.256897 0.136401
C -4.136015 0.314205 1.382179
C -3.249353 1.392256 0.735299
C -2.122451 -1.324907 1.030867
C -3.184837 -0.745153 2.004346
C -3.435805 0.219865 -1.520297
C -5.158280 -0.233094 0.348917
C -4.514514 -0.746831 -0.965614
C 0.110048 -0.016742 -1.849273
C 0.276528 -1.995337 -0.554177
C 1.354463 0.618453 -1.180226
C 1.531617 -1.488616 0.200802
C 3.500066 0.010329 -0.070718
C 4.111914 1.217889 -0.536763
C 4.249408 -0.782765 0.855957
C 5.409345 1.583822 -0.125636
C 5.546249 -0.403577 1.258113
C 6.147440 0.779080 0.771596
H -1.874462 1.594411 -0.915317
H -0.756275 0.337642 0.805204
H -4.706278 0.786659 2.206338
H -2.527110 1.778555 1.491514
H -1.359728 -1.845689 1.641803
H -2.575417 -2.086786 0.373722
H -3.780770 -1.579727 2.422236
H -2.664364 -0.273887 2.864143
H -2.855441 -0.287817 -2.312905
H -3.946077 1.088224 -1.981658
H -5.852666 0.593698 0.107246
H -5.759916 -1.037955 0.816215
H -4.075384 -1.748314 -0.811573
H -5.305890 -0.877592 -1.729706
H -0.533812 0.787565 -2.241833
H 0.444675 -0.618965 -2.716380
H 0.606475 -2.505574 -1.480253
H -0.235158 -2.747957 0.066418
H -3.571674 3.188279 -0.139260
H 1.929728 1.119791 -1.978581
H 1.045218 1.407611 -0.455178
H 1.259592 -1.175482 1.236559
H 2.223494 -2.345045 0.292326
H 3.582882 1.882994 -1.223911
H 3.827423 -1.699108 1.276312
H 5.843475 2.514394 -0.510382
H 6.087635 -1.041183 1.967228
H 7.154098 1.069362 1.089266


