%chk=000029730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029730

0 1
 O  -0.8386000     -0.6751000      -1.922100    
 N    3.707200      -1.146200      9.2000000E-02
 C   -1.150200     -0.3191000     -0.5532000    
 C  -7.7000000E-02  -1.043800      0.2862000    
 C    1.311300     -0.7302000     -0.2428000    
 C    2.369000      -1.428700      0.6101000    
 C    3.984100      0.2963000      0.1428000    
 C    4.718800      -1.907800      0.8380000    
 C  -0.9222000       1.196800     -0.4339000    
 C   -2.539900     -0.9200000     -0.2551000    
 C    5.361300      0.6146000     -0.4412000    
 C    6.120100      -1.661600      0.2766000    
 C    6.458600     -0.1754000      0.2631000    
 C   -1.313200       1.945400      0.6914000    
 C   -3.562800     -0.3545000      0.5336000    
 C   -2.122400       1.338800       1.800200    
 C   -3.494400      0.9580000       1.274500    
 C  -0.1940000       1.881700      -1.437000    
 C   -2.798200      -2.205900     -0.8097000    
 C  -0.9962000       3.317200      0.7809000    
 C   -4.800600      -1.035700      0.6579000    
 C   0.1108000       3.241800      -1.341000    
 C   -4.014600      -2.871400     -0.6552000    
 C  -0.2906000       3.961600     -0.2285000    
 C   -5.026400      -2.276800      7.2499998E-02
 H  -0.1477000     -0.7878000       1.348400    
 H  -0.2153000      -2.131700      0.2253000    
 H    1.430900      -1.037200      -1.288000    
 H    1.458500      0.3452000     -0.1756000    
 H    2.277500      -1.117900       1.659200    
 H    2.185300      -2.510200      0.5744000    
 H    3.919400      0.6757000       1.170900    
 H    3.289700      0.8751000     -0.4710000    
 H    4.506300      -2.981300      0.7632000    
 H    4.698300      -1.644800       1.903900    
 H    5.564000       1.687900     -0.3501000    
 H    5.371300      0.3771000      -1.512800    
 H    6.182200      -2.059900     -0.7442000    
 H    6.859800      -2.203700      0.8765000    
 H    7.419700     -1.2600000E-02 -0.2367000    
 H    6.565100      0.1852000       1.293600    
 H   -1.603000      0.4945000       2.262000    
 H   -2.252900       2.075700       2.603400    
 H   -3.911300       1.745200      0.6325000    
 H   -4.151200      0.8916000       2.152900    
 H   0.1692000       1.365500      -2.322900    
 H   -2.031200      -2.716800      -1.390700    
 H   -1.605000     -0.4499000      -2.477900    
 H   -1.310100       3.897400       1.646000    
 H   -5.608300     -0.5922000       1.238700    
 H   0.6696000       3.729500      -2.134300    
 H   -4.163700      -3.846600      -1.108200    
 H  -5.6499999E-02   5.018100     -0.1442000    
 H   -5.982400      -2.775400      0.1965000    


%chk=000029730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029730

0 1
O -0.896555 -0.648060 -2.027509
N 3.803077 -1.046524 0.170295
C -1.211707 -0.231139 -0.630038
C -0.069569 -0.905330 0.202497
C 1.360653 -0.475274 -0.186640
C 2.409403 -1.250418 0.639017
C 4.297801 0.335897 0.395543
C 4.729312 -2.045336 0.763292
C -1.103221 1.314489 -0.550914
C -2.575073 -0.901835 -0.259072
C 5.698806 0.533951 -0.219804
C 6.141972 -1.928466 0.155812
C 6.700110 -0.499238 0.344245
C -1.455795 2.063426 0.610185
C -3.598328 -0.405768 0.607458
C -2.173586 1.428989 1.786630
C -3.571394 0.918118 1.368062
C -0.502990 2.001837 -1.638239
C -2.764318 -2.192807 -0.840754
C -1.211964 3.459816 0.637804
C -4.764412 -1.198052 0.809582
C -0.275938 3.394920 -1.604590
C -3.921678 -2.962431 -0.624460
C -0.628494 4.134301 -0.456112
C -4.945439 -2.454823 0.204945
H -0.249088 -0.706838 1.276294
H -0.177730 -1.997585 0.058911
H 1.529090 -0.677767 -1.258813
H 1.473538 0.613517 -0.032900
H 2.297577 -0.985684 1.726056
H 2.192682 -2.334329 0.553366
H 4.343099 0.568268 1.495223
H 3.588383 1.048141 -0.060656
H 4.317548 -3.054726 0.573252
H 4.801268 -1.919543 1.878499
H 6.045439 1.566048 -0.017559
H 5.622454 0.413210 -1.317736
H 6.083175 -2.163116 -0.924661
H 6.809351 -2.675580 0.627843
H 7.685386 -0.397313 -0.149351
H 6.857626 -0.306243 1.426157
H -1.598098 0.593720 2.228193
H -2.293953 2.185549 2.583644
H -4.061635 1.708466 0.763445
H -4.193227 0.794824 2.275193
H -0.186789 1.422386 -2.509390
H -1.973111 -2.584005 -1.487337
H -1.670838 -0.403092 -2.598288
H -1.493042 4.023992 1.535827
H -5.546191 -0.805736 1.472368
H 0.185684 3.891780 -2.465363
H -4.020779 -3.946264 -1.096394
H -0.451292 5.214649 -0.409869
H -5.859096 -3.031271 0.387706


