%chk=000039298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039298

0 1
 O    6.113400      -1.624400     -0.2658000    
 O  -2.1600001E-02  -1.229200      -1.535300    
 N  -0.1181000      0.9297000     -0.5852000    
 N    4.104100      0.3167000      0.2781000    
 C   -2.173700     -0.1187000      -1.123100    
 C    1.290800       1.201500     -0.4247000    
 C    1.792800      0.8796000      0.9816000    
 C    3.291000       1.119900       1.188900    
 C   -2.377700       1.239700     -0.5079000    
 C   -1.140200       1.815200     -0.2172000    
 C  -0.6382000     -0.2543000      -1.129600    
 C    3.865000      -1.117400      0.4921000    
 C    5.531900      0.6201000      0.4481000    
 C   -2.800300      -1.223100     -0.3445000    
 C    4.733200      -1.935000     -0.4601000    
 C    6.360100     -0.2381000     -0.5039000    
 C   -3.555600       1.919200     -0.2485000    
 C   -1.037300       3.073400      0.3502000    
 C   -3.470400       3.190400      0.3247000    
 C   -2.221700       3.761900      0.6224000    
 C   -4.074000      -1.682900     -0.6834000    
 C   -2.115300      -1.800400      0.7261000    
 C   -4.661000      -2.716900      4.6000000E-02
 C   -2.702200      -2.834400       1.455500    
 C   -3.975100      -3.292600       1.115500    
 H   -2.500900     -0.1113000      -2.170000    
 H    1.491500       2.247100     -0.6843000    
 H    1.826700      0.5864000      -1.156400    
 H    1.501400     -0.1369000       1.269600    
 H    1.260500       1.523900       1.694200    
 H    3.545900      0.9123000       2.236300    
 H    3.491900       2.184800       1.015800    
 H    2.828600      -1.398000      0.2841000    
 H    4.097200      -1.394300       1.528600    
 H    5.842700      0.4212000       1.482100    
 H    5.725000       1.677000      0.2322000    
 H    4.602000      -3.003400     -0.2603000    
 H    4.462100      -1.758000      -1.508200    
 H    6.143900     -2.6000000E-03  -1.553100    
 H    7.426700     -5.6600001E-02 -0.3369000    
 H   -4.521900       1.486100     -0.4816000    
 H  -8.0499999E-02   3.526400      0.5832000    
 H   -4.379100       3.745700      0.5415000    
 H   -2.178700       4.752300       1.067800    
 H   -4.619400      -1.242500      -1.514000    
 H   -1.133100      -1.457400       1.038200    
 H   -5.652200      -3.073400     -0.2182000    
 H   -2.170800      -3.279300       2.291700    
 H   -4.432600      -4.096700       1.684400    


%chk=000039298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039298

0 1
O 5.943469 -1.703767 -0.937837
O 0.215662 -1.114751 -1.106919
N -0.048164 1.106301 -0.346268
N 4.082010 0.176038 0.278158
C -2.073202 -0.039037 -0.910519
C 1.382118 1.360593 -0.117872
C 1.857575 0.855641 1.264670
C 3.396245 0.882017 1.388647
C -2.354273 1.364916 -0.398165
C -1.120975 1.998631 -0.080932
C -0.516601 -0.131799 -0.814545
C 3.780913 -1.281632 0.227077
C 5.549980 0.402657 0.310559
C -2.766383 -1.199293 -0.195003
C 4.486502 -1.923313 -0.977858
C 6.215837 -0.258961 -0.906396
C -3.561456 2.056703 -0.224916
C -1.067748 3.316453 0.410341
C -3.529634 3.389310 0.265902
C -2.295288 4.006068 0.577979
C -2.951567 -2.426790 -0.878890
C -3.182909 -1.097156 1.156146
C -3.546976 -3.530092 -0.229009
C -3.778928 -2.200282 1.807294
C -3.964532 -3.420456 1.117558
H -2.314466 -0.107469 -1.990929
H 1.578711 2.441575 -0.237063
H 1.954130 0.829669 -0.897609
H 1.478379 -0.171899 1.411714
H 1.426136 1.473348 2.075761
H 3.681141 0.457867 2.386517
H 3.748459 1.933229 1.375387
H 2.693008 -1.433371 0.107650
H 4.110742 -1.792302 1.167095
H 6.009042 -0.011621 1.244539
H 5.745572 1.492484 0.290723
H 4.352058 -3.017161 -0.975313
H 4.070115 -1.500957 -1.917530
H 5.837762 0.214800 -1.838600
H 7.313594 -0.163757 -0.860072
H -4.516079 1.572362 -0.458130
H -0.118392 3.801446 0.658710
H -4.464714 3.941681 0.405598
H -2.284024 5.033813 0.958037
H -2.616152 -2.521368 -1.918244
H -3.048763 -0.153080 1.696273
H -3.683905 -4.472388 -0.771240
H -4.098303 -2.107327 2.851619
H -4.428926 -4.274873 1.622604


