%chk=000046274.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046274

0 1
 O    1.439100      -1.289300      -1.184700    
 N    3.379200      0.3985000      0.2215000    
 C    1.064200     -0.5688000     -1.1000000E-03
 C    1.959700      0.6976000      5.9300002E-02
 C    4.159400       1.601300      0.5050000    
 C    3.901400     -0.3363000     -0.9414000    
 C    5.580500       1.219800      0.9369000    
 C    5.416600     -0.1888000      -1.141400    
 C    6.137900      9.4999997E-03  0.1834000    
 C    1.291700      -1.513600       1.209000    
 C  -0.3990000     -0.1218000     -0.1106000    
 C   0.4065000      -2.759000       1.201400    
 C  -0.9527000      0.5702000      0.9395000    
 C   -1.095000     -0.4329000      -1.253700    
 C   -3.020000      0.6778000     -0.3061000    
 C   -2.283400      0.9762000      0.8402000    
 C   -2.425700     -2.6799999E-02  -1.353000    
 C   -4.442800       1.111500     -0.4121000    
 C   -5.415400      5.5300001E-02  0.1344000    
 C   -6.872200      0.4933000     -1.6100001E-02
 C   -7.830200     -0.5737000      0.4894000    
 H    1.646200       1.311800      0.9128000    
 H    1.806300       1.314400     -0.8382000    
 H    3.708200       2.182200       1.319000    
 H    4.192500       2.260100     -0.3728000    
 H    3.438800     -1.2500000E-02  -1.881600    
 H    3.714900      -1.406200     -0.7995000    
 H    6.237000       2.084400      0.7811000    
 H    5.601700       1.003500       2.012300    
 H    5.811800      -1.069900      -1.659600    
 H    5.617600      0.6755000      -1.787600    
 H    7.214900      0.1309000      2.2700001E-02
 H    6.012200     -0.8901000      0.7992000    
 H    1.139400     -0.9792000       2.154300    
 H    2.329800      -1.867700       1.210600    
 H    1.407000     -0.6810000      -1.942900    
 H   0.5344000      -3.332700      0.2783000    
 H   0.6754000      -3.410300       2.039700    
 H  -0.6522000      -2.505900       1.309500    
 H  -0.3987000      0.8067000       1.841800    
 H  -0.6806000     -0.9873000      -2.087700    
 H   -2.736000       1.521600       1.664100    
 H   -2.990800     -0.2691000      -2.249400    
 H   -4.683800       1.330900      -1.460400    
 H   -4.583600       2.058200      0.1255000    
 H   -5.264000     -0.8939000     -0.3956000    
 H   -5.197100     -0.1374000       1.192500    
 H   -7.091300      0.7012000      -1.069800    
 H   -7.039700       1.422900      0.5401000    
 H   -8.865700     -0.2387000      0.3738000    
 H   -7.710200      -1.506300     -7.1099997E-02
 H   -7.657800     -0.7850000       1.549600    


%chk=000046274-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046274

0 1
O 1.460496 -1.427516 -1.471018
N 3.433530 0.438273 0.030080
C 1.101980 -0.591515 -0.294645
C 2.015603 0.681186 -0.271937
C 4.145198 1.592295 0.630325
C 4.202630 -0.176201 -1.089711
C 5.424681 1.109817 1.369531
C 5.732795 -0.064322 -0.857462
C 6.048997 -0.120802 0.652414
C 1.349299 -1.495541 0.939302
C -0.377688 -0.156189 -0.390322
C 0.554603 -2.815806 0.917055
C -0.944186 0.733108 0.561374
C -1.221504 -0.654623 -1.412645
C -3.141479 0.633190 -0.552316
C -2.298255 1.119479 0.480305
C -2.576694 -0.262866 -1.493249
C -4.611890 1.018540 -0.611248
C -5.507915 0.108557 0.275490
C -7.001113 0.502616 0.220522
C -7.890860 -0.397825 1.104495
H 1.622046 1.370184 0.496385
H 1.874337 1.200319 -1.261729
H 3.467167 2.095378 1.343802
H 4.418455 2.357470 -0.141341
H 3.936484 0.314462 -2.064221
H 3.900765 -1.234337 -1.173621
H 6.151193 1.945473 1.407165
H 5.175985 0.842754 2.413230
H 6.241999 -0.881039 -1.401976
H 6.121362 0.886329 -1.273157
H 7.141523 -0.153207 0.823959
H 5.624835 -1.052295 1.071422
H 1.089548 -0.910817 1.843794
H 2.435220 -1.690083 0.989287
H 1.505388 -0.833773 -2.265168
H 0.803743 -3.400678 0.015487
H 0.797763 -3.425951 1.806528
H -0.535524 -2.634059 0.915605
H -0.332369 1.123869 1.383993
H -0.811581 -1.371109 -2.131649
H -2.708203 1.811621 1.227007
H -3.206503 -0.662893 -2.298270
H -4.976526 0.963396 -1.656011
H -4.744133 2.068657 -0.281835
H -5.387976 -0.945500 -0.047018
H -5.149175 0.155136 1.323736
H -7.352442 0.455324 -0.830715
H -7.111103 1.560286 0.537205
H -8.953298 -0.096821 1.049498
H -7.822013 -1.455717 0.788147
H -7.578794 -0.345133 2.164623


