%chk=000016828.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016828

0 1
 O    1.649300      -1.172500      7.7900000E-02
 O    2.023600       1.684500      3.8600001E-02
 O   -6.644300      0.5809000     -0.1825000    
 N   -1.842200     -3.8800001E-02 -0.2596000    
 C   0.6045000     -0.2551000     -0.2741000    
 C  -0.7228000     -0.8997000      9.7800002E-02
 C   0.8071000       1.061800      0.4635000    
 C   -3.110400     -0.6541000      0.1074000    
 C   -4.269600      0.2743000     -0.2406000    
 C    2.886700     -0.5863000      3.4600001E-02
 C    3.067700      0.7981000      4.4999998E-03
 C   -5.609400     -0.3334000      0.1520000    
 C    3.993100      -1.436100      3.1599998E-02
 C    4.353900       1.333200     -7.2999999E-02
 C    5.279500     -0.9000000     -3.2099999E-02
 C    5.459400      0.4825000     -8.9800000E-02
 C   -7.926100      6.0699999E-02  0.1437000    
 H   0.6517000     -9.8399997E-02  -1.361300    
 H  -0.7310000      -1.117300       1.174000    
 H  -0.8033000      -1.868600     -0.4119000    
 H   2.4999999E-03   1.773000      0.2531000    
 H   0.8545000      0.9178000       1.550900    
 H   -1.826400      0.1522000      -1.260900    
 H   -3.236200      -1.607900     -0.4192000    
 H   -3.128700     -0.8599000       1.184500    
 H   -4.150600       1.241600      0.2647000    
 H   -4.275300      0.4968000      -1.315600    
 H   -5.632100     -0.5316000       1.229900    
 H   -5.765200      -1.276800     -0.3843000    
 H    3.861700      -2.514100      6.7500003E-02
 H    4.503300       2.408800     -0.1094000    
 H    6.142300      -1.559800     -4.1200001E-02
 H    6.461800      0.8970000     -0.1435000    
 H   -8.679300      0.8038000     -0.1317000    
 H   -8.000500     -0.1301000       1.218700    
 H   -8.121300     -0.8584000     -0.4171000    


%chk=000016828-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016828

0 1
O 1.716088 -1.194578 -0.027212
O 2.043899 1.706641 0.185936
O -6.700314 0.584450 -0.341744
N -1.869444 -0.212631 -0.320393
C 0.596491 -0.246581 -0.263603
C -0.689831 -1.009477 0.077096
C 0.802773 1.010120 0.590257
C -3.163558 -0.727024 0.181962
C -4.322588 0.170330 -0.293141
C 2.990630 -0.578051 -0.026852
C 3.149294 0.833684 0.061213
C -5.686660 -0.329016 0.193596
C 4.125141 -1.409514 -0.122209
C 4.439601 1.400427 0.022159
C 5.416628 -0.839898 -0.147919
C 5.573363 0.566607 -0.086395
C -8.052734 0.210704 0.064257
H 0.611382 0.040310 -1.337046
H -0.732528 -1.177236 1.170477
H -0.633692 -2.016180 -0.401008
H -0.017079 1.726270 0.435545
H 0.871199 0.733073 1.661434
H -1.902344 -0.070055 -1.340643
H -3.356255 -1.784367 -0.133442
H -3.120642 -0.729025 1.289589
H -4.160280 1.202298 0.065904
H -4.342704 0.210292 -1.400660
H -5.729360 -0.338022 1.307503
H -5.880679 -1.366760 -0.164850
H 3.974790 -2.492143 -0.183312
H 4.531731 2.489232 0.087238
H 6.293995 -1.490690 -0.222532
H 6.572969 1.012467 -0.115138
H -8.728824 0.953801 -0.387016
H -8.168459 0.232015 1.169584
H -8.324100 -0.803373 -0.301532


