%chk=000047023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047023

1 1
 O    2.289800     -0.3829000     -0.7828000    
 O    2.589700      6.4000003E-02   1.467600    
 N   -3.183200      -1.036500      0.2039000    
 N    4.440800      8.4899999E-02  5.9599999E-02
 C   -1.689700     -0.8413000     -6.8899997E-02
 C   -1.261500      0.4038000     -0.3875000    
 C   -3.433000      -2.504200      0.5389000    
 C   -3.967400     -0.6219000      -1.038000    
 C   -3.671100     -0.1906000       1.378100    
 C   -2.157100       1.595100     -0.4884000    
 C  -0.9140000      -1.949800      3.3500001E-02
 C   0.1027000      0.5615000     -0.6324000    
 C   -1.562600       2.826800      0.2067000    
 C   0.4503000      -1.792100     -0.2115000    
 C   0.9585000     -0.5364000     -0.5443000    
 C   -2.463600       4.044000      7.1000002E-02
 C    3.079200     -6.4499997E-02  0.3460000    
 C    5.380300      0.4136000       1.122200    
 C    5.012000     -7.3200002E-02  -1.273900    
 H   -2.907900      -2.782700       1.459400    
 H   -4.508300      -2.612300      0.7296000    
 H   -3.197900      -3.131500     -0.3282000    
 H   -3.425200     -0.9540000      -1.930100    
 H   -4.924200      -1.156900      -1.005900    
 H   -4.216500      0.4350000      -1.094700    
 H   -4.531000      0.4201000       1.086000    
 H   -4.008400     -0.8612000       2.177100    
 H   -2.858000      0.4094000       1.796900    
 H   -2.307900       1.818500      -1.552800    
 H   -3.135200       1.526800     -4.0399998E-02
 H   -1.208500      -2.958700      0.2815000    
 H   0.5265000       1.516000     -0.9285000    
 H   -1.400400       2.615700       1.271000    
 H  -0.5921000       3.107100     -0.2141000    
 H    1.113200      -2.650600     -0.1427000    
 H   -2.618600       4.302000     -0.9815000    
 H   -3.441400       3.863000      0.5287000    
 H   -2.012300       4.907700      0.5697000    
 H    4.878700      0.5165000       2.087700    
 H    5.874700       1.357700      0.8756000    
 H    6.126000     -0.3837000       1.191800    
 H    5.501200      0.8631000      -1.557800    
 H    4.255300     -0.3175000      -2.021800    
 H    5.752500     -0.8778000      -1.243700    


%chk=000047023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047023

1 1
O 2.423940 -0.640306 -0.225574
O 2.741156 1.686275 0.179719
N -3.318093 -1.085962 -0.054111
N 4.551567 0.252327 -0.252191
C -1.791417 -0.867361 -0.073082
C -1.216775 0.432958 -0.216353
C -3.708102 -2.551209 0.172692
C -3.921753 -0.691300 -1.411974
C -3.969212 -0.299364 1.093839
C -1.913520 1.797128 -0.292271
C -0.961710 -2.012426 0.023616
C 0.200809 0.518035 -0.262530
C -1.754241 2.632074 1.015188
C 0.435418 -1.899407 -0.011102
C 1.024946 -0.623043 -0.155610
C -2.407646 4.023868 0.892556
C 3.232342 0.559468 -0.078780
C 5.545722 1.337609 -0.114249
C 5.086621 -1.089979 -0.551115
H -3.303921 -2.899059 1.133683
H -4.807292 -2.601103 0.196219
H -3.334814 -3.171525 -0.653721
H -3.460599 -1.322629 -2.185514
H -5.010532 -0.856028 -1.380075
H -3.707017 0.361317 -1.625633
H -5.055937 -0.477267 1.070110
H -3.541565 -0.661546 2.040321
H -3.762937 0.769195 0.984673
H -1.444644 2.372257 -1.113164
H -2.986724 1.750299 -0.547001
H -1.371456 -3.017185 0.131141
H 0.665997 1.499984 -0.365778
H -2.188547 2.083582 1.875405
H -0.677139 2.741370 1.239242
H 1.072715 -2.783600 0.068665
H -1.954822 4.605967 0.069155
H -3.494545 3.952730 0.696846
H -2.273168 4.602318 1.822860
H 5.028333 2.281396 0.108734
H 6.118096 1.447249 -1.053226
H 6.248376 1.104521 0.706446
H 5.670776 -1.057005 -1.489210
H 4.270343 -1.813204 -0.661980
H 5.755370 -1.419421 0.265734


