%chk=000033552.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033552

0 1
 O    1.259800       1.852800       1.890400    
 N   -1.988400      -3.051800     -0.1544000    
 C   0.1373000      0.2009000      0.4375000    
 C  -0.6900000      -1.123900      0.7812000    
 C   -1.096900      -1.938800     -0.4815000    
 C  -0.5921000       1.198800     -0.5216000    
 C    1.516000     -0.2501000     -0.1458000    
 C   0.3099000       1.077800       1.747000    
 C   2.6699999E-02  -2.073300       1.770000    
 C  -0.8074000       1.036200       2.793300    
 C   0.1852000       1.999300      -1.298800    
 C    1.637500     -0.2963000      -1.499900    
 C   -1.951900       1.195100     -0.5099000    
 C    2.497700     -0.5654000      0.7416000    
 C   -2.305300      -3.822100      -1.356200    
 C   -3.212600      -2.557800      0.4741000    
 C  -0.5068000       1.915000       3.997000    
 C  -0.4651000       2.889200      -2.153700    
 C    2.867400     -0.6992000      -2.020300    
 C   -2.602200       2.084900      -1.364800    
 C    3.727600     -0.9682000      0.2213000    
 C   -1.858800       2.932000      -2.186700    
 C    3.912300      -1.035100      -1.159800    
 H   -1.599400     -0.8036000       1.290400    
 H   -1.560900      -1.299700      -1.239500    
 H  -0.1903000      -2.354500     -0.9376000    
 H   0.4784000      -1.545700       2.613200    
 H   0.8050000      -2.665500       1.277600    
 H  -0.6845000      -2.786400       2.201800    
 H   -1.738500       1.377700       2.333700    
 H  -0.9445000      2.1700000E-02   3.168300    
 H    1.262900       2.090500      -1.228000    
 H   0.8300000     -0.1594000      -2.209700    
 H   -2.567700      0.5751000      0.1260000    
 H    2.384300     -0.5233000       1.817900    
 H   -1.391200      -4.216200      -1.814600    
 H   -2.836300      -3.223000      -2.104800    
 H   -2.926000      -4.689700      -1.105600    
 H   -3.945100      -3.369600      0.5652000    
 H   -3.686100      -1.754000     -0.1012000    
 H   -3.047900      -2.221200       1.501500    
 H  -0.3930000       2.963000       3.700800    
 H   -1.320900       1.854200       4.726000    
 H   0.4191000       1.602200       4.490900    
 H   0.1130000       3.568100      -2.774100    
 H    3.003800     -0.7770000      -3.095100    
 H   -3.687600       2.123600      -1.385900    
 H    4.541100      -1.231200      0.8911000    
 H   -2.365200       3.630200      -2.846700    
 H    4.868000      -1.354800      -1.564800    


%chk=000033552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033552

0 1
O 1.536410 1.465996 2.081947
N -2.030778 -3.079523 -0.124710
C 0.156105 0.119091 0.517969
C -0.707112 -1.164269 0.863889
C -1.022952 -2.023793 -0.395478
C -0.611633 1.174566 -0.338695
C 1.469676 -0.314099 -0.176620
C 0.415649 0.951862 1.836059
C -0.052297 -2.077002 1.928330
C -0.777621 1.206876 2.767581
C 0.111556 2.306310 -0.807100
C 1.533623 -0.404413 -1.592630
C -2.006011 1.125460 -0.593132
C 2.608895 -0.727500 0.564008
C -1.944131 -4.194394 -1.090806
C -3.409389 -2.565580 -0.010351
C -0.525276 2.350618 3.767157
C -0.529118 3.338133 -1.523395
C 2.688457 -0.884675 -2.247906
C -2.650944 2.156105 -1.315038
C 3.766942 -1.206245 -0.087745
C -1.917368 3.267435 -1.785752
C 3.815620 -1.288533 -1.497406
H -1.665977 -0.802783 1.284916
H -1.335604 -1.373152 -1.248827
H -0.089489 -2.525438 -0.708724
H 0.139592 -1.557356 2.884759
H 0.908329 -2.481471 1.564149
H -0.726325 -2.929445 2.119011
H -1.674697 1.411816 2.153884
H -0.992753 0.267661 3.316588
H 1.185066 2.374915 -0.598162
H 0.674339 -0.087093 -2.193341
H -2.607288 0.283286 -0.238960
H 2.609553 -0.651193 1.653717
H -0.923581 -4.615640 -1.081544
H -2.184965 -3.893762 -2.142406
H -2.647482 -4.995126 -0.798225
H -4.095138 -3.398245 0.227968
H -3.775496 -2.075568 -0.950075
H -3.484008 -1.831515 0.811575
H -0.351458 3.303789 3.238164
H -1.394471 2.475187 4.437579
H 0.369573 2.149338 4.379470
H 0.053367 4.198674 -1.871010
H 2.706207 -0.939909 -3.342438
H -3.727971 2.088194 -1.506863
H 4.634915 -1.507499 0.509806
H -2.418837 4.066837 -2.342538
H 4.716697 -1.655429 -2.001848


