%chk=000051392.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051392

0 1
 O    4.271800       1.490300       1.734900    
 N    4.382600      0.3090000     -0.2637000    
 N    1.669300      -3.104700     -3.7700001E-02
 C   -1.203800       1.288500      9.8600000E-02
 C   -2.497500      0.9756000     -0.6559000    
 C  -6.7599997E-02   1.631200     -0.8675000    
 C   -3.672800      0.6328000      0.2649000    
 C    1.217800       1.976100     -0.1135000    
 C   -5.002600      0.3323000     -0.4352000    
 C    2.362700       2.287100      -1.078100    
 C   -6.150100      5.2900001E-02  0.5385000    
 C    3.654200       2.598500     -0.3256000    
 C   -7.475300     -0.2540000     -0.1638000    
 C    4.132800       1.428800      0.5164000    
 C    3.699400      -1.874900      0.6733000    
 C    4.847000     -0.9470000      0.2796000    
 C    2.749900      -2.229000     -0.4748000    
 C   -8.636100     -0.4610000      0.7971000    
 C    1.063600      -3.787100      -1.182700    
 C   0.6547000      -2.345300      0.6953000    
 H   -1.375400       2.133700      0.7762000    
 H  -0.9226000      0.4320000      0.7211000    
 H   -2.325300      0.1350000      -1.339400    
 H   -2.772900       1.837100      -1.276800    
 H   0.1138000      0.7794000      -1.534300    
 H  -0.3613000       2.479500      -1.497600    
 H   -3.825300       1.468800      0.9594000    
 H   -3.396600     -0.2330000      0.8802000    
 H    1.041800       2.838900      0.5405000    
 H    1.482900       1.130400      0.5318000    
 H   -5.270600       1.183600      -1.072700    
 H   -4.869900     -0.5310000      -1.098500    
 H    2.500600       1.450400      -1.771800    
 H    2.095000       3.157700      -1.689400    
 H   -6.283200      0.9225000       1.193700    
 H   -5.880900     -0.7921000       1.184200    
 H    4.447300       2.856800      -1.037100    
 H    3.512800       3.463300      0.3327000    
 H   -7.725200      0.5692000     -0.8437000    
 H   -7.359200      -1.152400     -0.7816000    
 H    3.146700      -1.390000       1.486000    
 H    4.125100      -2.796700       1.089800    
 H    5.478200     -0.7475000       1.152500    
 H    5.470300      -1.419800     -0.4866000    
 H    3.355600      -2.739000      -1.236200    
 H    2.353500      -1.324500     -0.9537000    
 H    4.275500      0.3660000      -1.271600    
 H   -8.438200      -1.299400       1.472400    
 H   -9.554600     -0.6780000      0.2432000    
 H   -8.806200      0.4350000       1.402400    
 H    1.804300      -4.408200      -1.698800    
 H   0.6382000      -3.081700      -1.905800    
 H   0.2678000      -4.463600     -0.8511000    
 H    1.058400      -1.889600       1.604000    
 H  -0.1512000      -3.011000       1.025900    
 H   0.2088000      -1.558400      7.7900000E-02


%chk=000051392-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051392

0 1
O 4.437947 1.475254 1.653261
N 4.480737 0.303669 -0.351952
N 1.703444 -3.223318 0.000094
C -1.228563 1.351494 0.042611
C -2.570529 1.096852 -0.679430
C -0.081767 1.753952 -0.911633
C -3.711058 0.685906 0.278788
C 1.253513 2.012438 -0.179254
C -5.058837 0.444763 -0.437686
C 2.400708 2.415630 -1.131721
C -6.198059 0.032571 0.521633
C 3.749837 2.661081 -0.401339
C -7.547470 -0.204153 -0.194320
C 4.248325 1.448310 0.397721
C 3.676662 -1.827409 0.743777
C 4.878171 -0.972875 0.271623
C 2.775088 -2.288225 -0.418371
C -8.680112 -0.613496 0.771904
C 1.050253 -3.857934 -1.163412
C 0.713741 -2.609479 0.908317
H -1.367288 2.146923 0.804273
H -0.934423 0.437535 0.601536
H -2.431397 0.304656 -1.445121
H -2.868861 2.012577 -1.231987
H 0.063118 0.953261 -1.668185
H -0.376422 2.663888 -1.475717
H -3.842868 1.473878 1.049792
H -3.416396 -0.234784 0.825076
H 1.113703 2.809813 0.579091
H 1.543957 1.101929 0.383820
H -5.354192 1.366616 -0.981651
H -4.927672 -0.342044 -1.210274
H 2.519628 1.634659 -1.913371
H 2.121706 3.342951 -1.671427
H -6.328935 0.817852 1.295708
H -5.905829 -0.890959 1.064381
H 4.523134 2.962484 -1.136019
H 3.638956 3.486146 0.322822
H -7.838034 0.718811 -0.736834
H -7.416656 -0.989557 -0.966795
H 3.107590 -1.232131 1.480472
H 4.059324 -2.723596 1.269123
H 5.507737 -0.724108 1.143569
H 5.494394 -1.538650 -0.453505
H 3.401921 -2.819551 -1.163362
H 2.345544 -1.386012 -0.935765
H 4.277119 0.322645 -1.351998
H -8.425950 -1.548000 1.307251
H -9.632205 -0.779970 0.234939
H -8.854251 0.170431 1.533269
H 1.806470 -4.378439 -1.778163
H 0.509000 -3.130003 -1.822445
H 0.318162 -4.608501 -0.815481
H 1.197767 -2.271966 1.839488
H -0.049350 -3.360685 1.178846
H 0.187466 -1.729632 0.451338


