%chk=000005268.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005268

0 1
 O   -2.165500      -3.553400     -0.4928000    
 O    3.954700      -1.014200      0.6616000    
 O    3.453200       1.645800     -0.3270000    
 N   -3.779400     -0.3996000     -0.3120000    
 N   0.2636000     -0.9269000      0.8046000    
 N   -4.220400      -2.562100     -0.9021000    
 C   -2.513200      -1.145100     -8.5800000E-02
 C   -1.389400     -0.6679000      -1.023500    
 C   -2.127100      -1.182800       1.403900    
 C  -3.8999999E-03  -1.179500     -0.6164000    
 C  -0.6914000      -1.659200       1.644800    
 C   -2.897800      -2.574300     -0.5059000    
 C   -4.831600      -1.276400     -0.8129000    
 C    1.634600      -1.315200       1.139100    
 C   -4.038000      0.9483000     -0.1044000    
 C    2.646600     -0.5530000      0.2963000    
 C    2.546500      0.9481000      0.5329000    
 C   -5.315000       1.517800     -0.3668000    
 C   -3.041200       1.838000      0.3840000    
 C    4.943900     -0.2093000      0.1610000    
 C   -5.575000       2.872100     -0.1570000    
 C   -3.301100       3.192200      0.5938000    
 C    4.699000       1.075700     -0.3282000    
 C   -4.568000       3.709300      0.3234000    
 C    6.241700     -0.7207000      0.1632000    
 C    5.744700       1.833400     -0.8560000    
 C    7.289300      4.3000001E-02 -0.3521000    
 C    7.040300       1.316000     -0.8660000    
 H   -1.341200      0.4235000      -1.074500    
 H   -1.593600     -0.9900000      -2.053800    
 H   -2.811700      -1.839600       1.957700    
 H   -2.235600     -0.2019000       1.875000    
 H   9.4999999E-02  -2.245900     -0.8545000    
 H   0.6817000     -0.6413000      -1.275500    
 H  -0.4591000      -1.492500       2.704400    
 H  -0.6176000      -2.740700       1.474500    
 H   -5.169500     -0.9936000      -1.815000    
 H   -5.677000      -1.352100     -0.1216000    
 H    1.834700      -1.116000       2.200600    
 H    1.788700      -2.394900       1.005000    
 H   -4.707900      -3.391700      -1.225200    
 H    2.558700     -0.7905000     -0.7693000    
 H    1.546800       1.331700      0.3072000    
 H    2.782900       1.214200       1.571400    
 H   -6.134300      0.9092000     -0.7420000    
 H   -2.036200       1.501700      0.6155000    
 H   -6.561300       3.275400     -0.3673000    
 H   -2.517700       3.844800      0.9681000    
 H   -4.770500       4.763700      0.4868000    
 H    6.443000      -1.714600      0.5535000    
 H    5.561000       2.829200      -1.250100    
 H    8.299700     -0.3557000     -0.3573000    
 H    7.857000       1.906800      -1.270400    


%chk=000005268-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005268

0 1
O -2.407352 -3.706667 -0.186388
O 4.014515 -1.081354 0.264147
O 3.601585 1.815854 0.350936
N -3.881548 -0.419809 -0.242449
N 0.284096 -1.119167 0.541195
N -4.466892 -2.619207 -0.506724
C -2.622280 -1.199783 -0.048162
C -1.544279 -0.873836 -1.133412
C -2.049554 -1.050448 1.399850
C -0.174750 -1.508133 -0.822311
C -0.647909 -1.672030 1.562745
C -3.110723 -2.660717 -0.247637
C -5.048351 -1.279450 -0.518165
C 1.695322 -1.507140 0.788246
C -4.054684 0.972802 -0.161325
C 2.662184 -0.466746 0.203840
C 2.671410 0.853656 0.981526
C -5.357890 1.533257 -0.354185
C -2.981365 1.880928 0.105958
C 5.064125 -0.163490 0.021492
C -5.570503 2.924912 -0.282932
C -3.212482 3.268759 0.173568
C 4.860207 1.245151 0.047915
C -4.503705 3.811646 -0.018496
C 6.344051 -0.683998 -0.258734
C 5.931213 2.116832 -0.235528
C 7.417654 0.191540 -0.530030
C 7.208671 1.592556 -0.528807
H -1.423472 0.219282 -1.206718
H -1.904021 -1.229450 -2.117368
H -2.750453 -1.520331 2.115562
H -1.993113 0.020735 1.654010
H -0.238145 -2.617155 -0.916013
H 0.557814 -1.147841 -1.567473
H -0.261521 -1.413667 2.566339
H -0.714084 -2.782656 1.494707
H -5.508696 -1.043488 -1.503074
H -5.834082 -1.170929 0.262468
H 1.864852 -1.573597 1.879447
H 1.952656 -2.503662 0.358460
H -5.010600 -3.465861 -0.671372
H 2.429234 -0.256087 -0.859507
H 1.678278 1.325786 0.956026
H 2.986433 0.675618 2.029610
H -6.217070 0.887922 -0.561804
H -1.963001 1.518936 0.260694
H -6.583518 3.314942 -0.436367
H -2.364947 3.932969 0.379165
H -4.671829 4.891785 0.035870
H 6.473990 -1.770923 -0.268084
H 5.744712 3.195224 -0.212276
H 8.409124 -0.218788 -0.747910
H 8.036794 2.274616 -0.747622


