%chk=000024405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024405

0 1
 O    3.325500      0.7089000      0.9835000    
 O    4.264000      -2.085400     -0.2833000    
 O    5.455900     -0.1442000      -1.781000    
 O    5.078300       2.885600       1.390600    
 N    1.255400     -0.1575000      0.2097000    
 N  -0.5193000       1.022300     -0.4506000    
 N   0.1647000      -2.241500      0.8177000    
 N   -3.320200     -0.1599000     -0.3973000    
 N   -2.245700      -2.120900      0.4550000    
 C    3.433700      -1.001400     -0.6966000    
 C    2.652300     -0.4769000      0.5093000    
 C    4.263500      0.1999000      -1.108700    
 C    4.533100      0.8782000      0.2232000    
 C    4.857000       2.355900      9.5299996E-02
 C   0.1739000     -0.9793000      0.3632000    
 C   0.7864000       1.033400     -0.2814000    
 C  -0.9152000     -0.2296000     -5.1700000E-02
 C   -2.161300     -0.8456000      5.4000001E-03
 C   -1.094400      -2.730600      0.8278000    
 C   -4.627600     -0.7450000     -0.3596000    
 C   -5.617300      0.2533000     -0.8751000    
 C   -6.309000       1.168300     -0.1693000    
 C   -7.291700       2.145400     -0.7499000    
 C   -6.141900       1.266700       1.323700    
 H    2.806600      -1.370200      -1.514700    
 H    2.640100      -1.192200       1.339800    
 H    3.661000      0.8477000      -1.757300    
 H    5.339700      0.3758000      0.7727000    
 H    4.028700       2.912500     -0.3550000    
 H    5.758300       2.518600     -0.5022000    
 H    3.677800      -2.805800      5.2000000E-03
 H    5.938900      0.6786000      -1.967000    
 H    1.435100       1.870200     -0.5015000    
 H    4.271600       2.733200       1.911900    
 H   -1.199500      -3.750400       1.182200    
 H   -3.198500      0.7938000     -0.7221000    
 H   -4.666400      -1.631300      -1.004900    
 H   -4.883400      -1.087500      0.6485000    
 H   -5.776500      0.2243000      -1.952400    
 H   -6.966500       3.173300     -0.5601000    
 H   -7.391700       2.020700      -1.833100    
 H   -8.281100       2.002000     -0.3037000    
 H   -7.048100      0.9116000       1.825600    
 H   -5.292300      0.7082000       1.722500    
 H   -5.982200       2.312100       1.611200    


%chk=000024405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024405

0 1
O 3.529652 1.218122 0.457357
O 4.796495 -1.434280 1.674895
O 5.313326 -1.602856 -0.917193
O 4.105560 2.761925 -1.874381
N 1.537199 0.196944 1.362195
N -0.560491 0.745511 2.129243
N 0.893816 -0.815367 -0.835026
N -3.048103 0.105617 0.439692
N -1.543738 -0.793504 -1.173148
C 3.619040 -1.172976 0.855703
C 3.005762 0.162512 1.340045
C 4.052519 -0.897059 -0.620476
C 4.322999 0.620352 -0.661366
C 3.875416 1.318212 -1.948268
C 0.635350 -0.210360 0.366010
C 0.757079 0.770168 2.385481
C -0.648044 0.132766 0.864794
C -1.774049 -0.184556 0.042192
C -0.256085 -1.065947 -1.533248
C -4.260943 -0.181100 -0.356717
C -5.129809 1.051748 -0.490810
C -6.423795 1.202195 -0.082237
C -7.160326 2.510984 -0.318600
C -7.249335 0.130663 0.609356
H 2.901056 -2.010173 0.934713
H 3.350302 0.364290 2.368936
H 3.235972 -1.186276 -1.304007
H 5.392798 0.819336 -0.462263
H 2.805293 1.088162 -2.135419
H 4.482819 0.964362 -2.798930
H 5.519499 -1.707130 1.039478
H 5.123123 -2.444232 -1.400577
H 1.212363 1.183257 3.283471
H 3.653391 3.089307 -1.054120
H -0.130420 -1.546478 -2.508594
H -3.153514 0.577050 1.341582
H -3.900564 -0.525576 -1.342715
H -4.815758 -1.020939 0.101735
H -4.635137 1.902922 -0.981374
H -7.502803 2.950593 0.639114
H -6.526524 3.254025 -0.832039
H -8.067530 2.348882 -0.933972
H -8.096546 -0.181435 -0.033037
H -6.673072 -0.773330 0.865013
H -7.692542 0.528972 1.543011


