%chk=000047041.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047041

1 1
 O   -1.950300      0.3759000      0.9653000    
 O   -2.328800     -0.7265000      -1.046700    
 N    2.802600     -0.2885000      0.3399000    
 N   -3.874600     -0.8380000      0.6797000    
 C    1.538400      0.5493000      0.1333000    
 C    2.497200      -1.782200      0.4301000    
 C    3.467600      0.1404000       1.644700    
 C    3.738200     -6.6000000E-02 -0.8451000    
 C   0.3868000      5.9700001E-02  0.6523000    
 C    1.678200       1.710700     -0.5500000    
 C    1.819900      -2.310200     -0.7915000    
 C  -0.7648000      0.8240000      0.4647000    
 C  -0.6952000       2.031300     -0.2303000    
 C   0.5263000       2.474700     -0.7376000    
 C   -1.917600       2.862500     -0.4393000    
 C   0.6215000      -2.904200     -0.7825000    
 C   -2.695700     -0.4341000      8.7700002E-02
 C   -4.849700      -1.678800      2.5200000E-02
 H    3.463400      -2.294100      0.5354000    
 H    1.956500      -1.990600       1.360500    
 H    2.780200     -5.3300001E-02   2.474200    
 H    4.386400     -0.4413000       1.767200    
 H    3.706000       1.207100       1.585200    
 H    4.251200      0.8949000     -0.7338000    
 H    4.510500     -0.8432000     -0.8208000    
 H    3.189300     -0.1248000      -1.790600    
 H   0.2960000     -0.8373000       1.248700    
 H    2.604300       2.116100     -0.9338000    
 H    2.344600      -2.251900      -1.741100    
 H   0.5973000       3.416400      -1.275700    
 H   -2.461900       2.995500      0.5017000    
 H   -1.668900       3.863300     -0.8086000    
 H   -2.577900       2.388600      -1.172600    
 H   0.1916000      -3.285000      -1.702500    
 H   5.2099999E-02  -3.029700      0.1316000    
 H   -4.068900     -0.5242000       1.625500    
 H   -5.780000      -1.113100     -6.7599997E-02
 H   -5.021200      -2.555600      0.6542000    
 H   -4.506400      -1.992400     -0.9633000    


%chk=000047041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047041

1 1
O -2.167256 0.691690 0.543650
O -1.898411 -1.660207 0.189913
N 2.677030 -0.390323 0.434975
N -3.899581 -0.705404 0.984638
C 1.530941 0.542081 0.061334
C 2.330107 -1.889409 0.044211
C 2.904770 -0.333376 1.950545
C 3.983727 -0.016591 -0.255442
C 0.242777 0.198408 0.516476
C 1.741311 1.706489 -0.700228
C 2.069904 -2.093544 -1.423642
C -0.850672 1.005337 0.144505
C -0.686371 2.200192 -0.610506
C 0.630278 2.526416 -1.007597
C -1.873380 3.062888 -0.971919
C 0.823093 -2.311429 -1.916543
C -2.613077 -0.691817 0.546373
C -4.683795 -1.944345 1.103422
H 3.200381 -2.470692 0.399448
H 1.449928 -2.165316 0.643049
H 1.986208 -0.645991 2.466305
H 3.733224 -1.009521 2.214900
H 3.148948 0.701764 2.232085
H 4.315344 0.972863 0.091573
H 4.740003 -0.769910 0.013283
H 3.835304 -0.009623 -1.343542
H 0.049700 -0.696854 1.108833
H 2.725339 2.000337 -1.070544
H 2.939607 -2.134470 -2.092184
H 0.792664 3.437622 -1.592193
H -2.347937 3.485498 -0.067613
H -1.575112 3.896726 -1.627170
H -2.651302 2.472279 -1.487610
H 0.670106 -2.509787 -2.983114
H -0.070841 -2.298783 -1.279291
H -4.326291 0.192538 1.220864
H -5.564191 -1.915421 0.438109
H -5.022011 -2.092654 2.143669
H -4.046267 -2.792258 0.810678


