%chk=000028785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028785

0 1
 O    6.481400     -0.2073000      0.6073000    
 O    5.982100      -1.955100     -0.6235000    
 N   -3.637000      -2.342300     -0.1582000    
 N   0.2357000      0.1220000      0.1809000    
 N   0.8514000      -1.678400     -0.9677000    
 N   -1.964500       4.476000     -0.4361000    
 N    5.643400     -0.9373000      2.6400000E-02
 C   -4.447500      -1.124900     -0.1619000    
 C   -4.282800      -3.225300      0.8127000    
 C   -5.870300      -1.663200     -0.1343000    
 C   -5.762500      -3.042000      0.5095000    
 C   -2.243300      -2.081000      0.1693000    
 C   -1.586700      -1.194400     -0.8907000    
 C  -0.1348000     -0.9375000     -0.5703000    
 C  -0.6235000       1.125500      0.7676000    
 C    1.602000      7.0299998E-02  0.2860000    
 C  -0.8456000       2.312100     -0.1699000    
 C    1.962300      -1.062100     -0.4390000    
 C   -1.745800       3.361700      0.4783000    
 C    2.525400      0.8918000      0.9334000    
 C    3.320100      -1.410800     -0.5346000    
 C    4.265000     -0.6006000      0.1074000    
 C    3.872400      0.5299000      0.8279000    
 C   -2.900300       5.441800      0.1424000    
 C  -0.6966000       5.131200     -0.7629000    
 H   -4.266100     -0.5087000      0.7282000    
 H   -4.295300     -0.5099000      -1.053900    
 H   -3.973100      -4.268200      0.6928000    
 H   -4.075900      -2.915600       1.845200    
 H   -6.538200      -1.003900      0.4291000    
 H   -6.271200      -1.759300      -1.150300    
 H   -6.114300      -3.807300     -0.1923000    
 H   -6.370100      -3.114200       1.417200    
 H   -2.148000      -1.625400       1.163600    
 H   -1.699800      -3.034200      0.2130000    
 H   -2.110600     -0.2435000      -1.021400    
 H   -1.632500      -1.699000      -1.865200    
 H   -1.574200      0.6603000       1.044800    
 H  -0.1616000       1.456400       1.705100    
 H   0.1419000       2.721900     -0.4083000    
 H   -1.284400       1.971700      -1.116000    
 H   -2.707400       2.890200      0.7185000    
 H   -1.306700       3.701700       1.425400    
 H    2.225600       1.771700       1.491200    
 H    3.596400      -2.294900      -1.100600    
 H    4.598500       1.166100       1.330100    
 H   -2.517100       5.884600       1.068900    
 H   -3.108300       6.250400     -0.5673000    
 H   -3.861900       4.963500      0.3601000    
 H  -7.9700001E-02   4.520700      -1.429000    
 H  -0.1170000       5.393000      0.1299000    
 H  -0.8797000       6.057300      -1.321900    


%chk=000028785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028785

0 1
O 6.572555 -0.219588 0.654565
O 6.066540 -2.036391 -0.627053
N -3.715195 -2.370397 -0.102175
N 0.230092 0.124194 0.218521
N 0.862165 -1.728070 -0.981455
N -1.860224 4.657517 -0.423157
N 5.725542 -0.986751 0.046261
C -4.640124 -1.203219 -0.095585
C -4.355581 -3.409277 0.746649
C -6.068271 -1.816537 0.045460
C -5.831869 -3.338476 0.307007
C -2.317692 -2.070438 0.234305
C -1.614679 -1.265655 -0.896359
C -0.177624 -0.973097 -0.583580
C -0.620026 1.193492 0.770656
C 1.622002 0.061949 0.317318
C -0.713946 2.428336 -0.155995
C 2.004892 -1.106904 -0.432755
C -1.531135 3.556110 0.508989
C 2.566369 0.882144 0.973382
C 3.359307 -1.471026 -0.534846
C 4.289784 -0.641721 0.127156
C 3.918499 0.515577 0.871843
C -2.874053 5.570918 0.145972
C -0.670993 5.391573 -0.904044
H -4.423455 -0.524889 0.771361
H -4.526968 -0.608880 -1.019959
H -3.892224 -4.395393 0.566451
H -4.262685 -3.177126 1.839402
H -6.606922 -1.346233 0.886857
H -6.672483 -1.658039 -0.863426
H -5.965127 -3.911736 -0.626396
H -6.516856 -3.751197 1.067581
H -2.236362 -1.506538 1.204267
H -1.771927 -3.022335 0.367030
H -2.169089 -0.328519 -1.091938
H -1.648926 -1.870184 -1.817005
H -1.626463 0.777632 0.955174
H -0.208223 1.484811 1.755969
H 0.308514 2.771815 -0.399213
H -1.203515 2.151503 -1.108451
H -2.490217 3.134825 0.872457
H -0.978305 3.927263 1.415503
H 2.273197 1.770433 1.541562
H 3.687986 -2.348884 -1.094987
H 4.706291 1.100239 1.352761
H -2.523559 6.110074 1.062924
H -3.153762 6.328367 -0.607378
H -3.783021 5.001264 0.410160
H 0.003901 4.716322 -1.456080
H -0.086744 5.871319 -0.076899
H -0.990091 6.185326 -1.601907


