%chk=000016754.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016754

0 1
 O  -0.3085000       2.774200     -0.1626000    
 O   -2.940800       3.289100     -8.2300000E-02
 O    4.794600      -1.073200     -0.1656000    
 O    4.074000       1.485000      0.6355000    
 N   -2.244600      -3.092500     -0.2554000    
 C   -1.186700      -2.123600      0.1328000    
 C   -1.650500     -0.6656000      4.6399999E-02
 C   8.2199998E-02  -2.293800     -0.7331000    
 C   -3.025600     -0.3603000      5.6600001E-02
 C   -3.484600      -2.801600      0.4821000    
 C  -0.6840000      0.3723000      2.1500001E-02
 C   -4.054500      -1.456300      4.1900001E-02
 C    1.142000      -1.279700     -0.3649000    
 C   0.7560000      2.6900001E-02  4.6000001E-03
 C   -1.143200       1.701100     -2.0199999E-02
 C   -3.443800      0.9730000      1.2200000E-02
 C   -1.848700      -4.480800      4.9999999E-03
 C   -2.506500       1.998000     -2.2700001E-02
 C    2.498300      -1.633900     -0.4333000    
 C    1.772700      0.9379000      0.3431000    
 C    3.484100     -0.7091000     -0.1040000    
 C    3.121300      0.5737000      0.2895000    
 C  -2.9400000E-02   3.200300      -1.492500    
 C   -3.135600       3.964000       1.158400    
 C    5.368900      -1.631900       1.014700    
 C    4.592800       2.306900     -0.4076000    
 H  -0.9202000      -2.292300       1.187900    
 H  -0.1525000      -2.175100      -1.799300    
 H   0.5025000      -3.295800     -0.5950000    
 H   -3.304100      -2.805200       1.565800    
 H   -4.244300      -3.567100      0.2795000    
 H   -4.888800      -1.193900      0.7035000    
 H   -4.451100      -1.540200     -0.9780000    
 H   -4.505100       1.210000     -3.4000000E-03
 H   -1.557500      -4.638900       1.049500    
 H   -1.023100      -4.790000     -0.6423000    
 H   -2.672400      -5.166400     -0.2266000    
 H    2.783800      -2.637400     -0.7403000    
 H    1.559300       1.932500      0.7187000    
 H   0.3172000       2.366000      -2.111000    
 H   0.7627000       3.953100      -1.450500    
 H  -0.9159000       3.655000      -1.944800    
 H   -3.903500       3.458900       1.752900    
 H   -3.471700       4.982400      0.9455000    
 H   -2.198200       4.015500       1.721200    
 H    6.417700      -1.862600      0.8090000    
 H    4.854000      -2.557900       1.290100    
 H    5.323600     -0.9162000       1.841500    
 H    3.795200       2.910700     -0.8524000    
 H    5.074700       1.695400      -1.176900    
 H    5.340000       2.978100      2.4499999E-02


%chk=000016754-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016754

0 1
O -0.352625 2.767027 -0.139575
O -3.152251 3.269629 -0.076803
O 4.770781 -1.215593 -0.178570
O 4.022716 1.445429 0.805411
N -2.272016 -3.177409 -0.223087
C -1.213888 -2.173348 0.067389
C -1.739523 -0.731387 0.025766
C -0.030117 -2.277435 -0.923378
C -3.127570 -0.453286 0.015386
C -3.514967 -2.889501 0.533697
C -0.775733 0.333648 -0.006681
C -4.140106 -1.586381 0.019427
C 1.055802 -1.305000 -0.502905
C 0.675285 -0.010378 -0.027964
C -1.255564 1.675573 -0.057754
C -3.573945 0.888374 0.007225
C -1.812471 -4.564243 0.005511
C -2.651867 1.946311 -0.018337
C 2.415968 -1.673328 -0.533184
C 1.697807 0.878047 0.401706
C 3.425473 -0.787481 -0.101282
C 3.055180 0.509800 0.352856
C -0.367247 3.459602 -1.449770
C -2.794623 4.125527 1.077607
C 5.493170 -1.243271 1.115494
C 4.921207 1.940054 -0.261920
H -0.797719 -2.349903 1.099944
H -0.412884 -2.046660 -1.938089
H 0.379486 -3.301131 -0.948894
H -3.320702 -2.811847 1.635215
H -4.215894 -3.730508 0.381411
H -5.016470 -1.313110 0.638176
H -4.507462 -1.756576 -1.011575
H -4.642740 1.127475 0.022780
H -1.451569 -4.740369 1.051185
H -0.996341 -4.828619 -0.686804
H -2.649039 -5.257637 -0.189966
H 2.717698 -2.668607 -0.876981
H 1.448452 1.876700 0.762678
H -0.040637 2.767574 -2.248469
H 0.350706 4.288794 -1.353165
H -1.378326 3.847467 -1.669155
H -3.234773 3.713829 2.006133
H -3.236592 5.109881 0.859053
H -1.698307 4.206230 1.183172
H 6.525980 -1.532034 0.867318
H 5.040479 -2.000275 1.783989
H 5.469355 -0.252530 1.603087
H 4.339369 2.492535 -1.024617
H 5.464819 1.104720 -0.740909
H 5.626438 2.622321 0.237415


