%chk=000018548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018548

0 1
 O    1.815800      0.8305000      0.9514000    
 N    2.198700      -2.014700      0.3490000    
 C    1.056200      -1.199900     -8.5100003E-02
 C  -0.1592000      -1.406600      0.8575000    
 C    1.456900      0.2636000     -0.2041000    
 C   -1.391300     -0.6869000      0.4232000    
 C    1.513700       1.085300      -1.261000    
 C   -1.631000      0.6144000      0.8644000    
 C   -2.303600      -1.315000     -0.4249000    
 C    3.291000      -1.906300     -0.6019000    
 C    1.958500       2.318400     -0.7272000    
 C    2.128000       2.111400      0.6219000    
 C   -2.783000       1.287700      0.4580000    
 C   -3.455500     -0.6416000     -0.8314000    
 C   -3.695200      0.6597000     -0.3899000    
 H   0.7485000      -1.542200      -1.084300    
 H  -0.3821000      -2.480200      0.9334000    
 H   9.9299997E-02  -1.097400       1.880200    
 H    1.906100      -2.989600      0.4148000    
 H    1.274300      0.8614000      -2.290300    
 H  -0.9376000       1.114500       1.534600    
 H   -2.127300      -2.327600     -0.7779000    
 H    2.976500      -2.144700      -1.623700    
 H    4.069400      -2.626900     -0.3282000    
 H    3.768700     -0.9220000     -0.5863000    
 H    2.133300       3.242400      -1.259200    
 H    2.447000       2.739900       1.440600    
 H   -2.970800       2.300000      0.8037000    
 H   -4.165700      -1.130100      -1.492100    
 H   -4.592300       1.183800     -0.7061000    


%chk=000018548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018548

0 1
O 1.882025 0.880757 1.006072
N 2.178425 -2.052087 0.257459
C 1.057401 -1.174987 -0.152301
C -0.127696 -1.397699 0.844977
C 1.483721 0.268083 -0.206334
C -1.410385 -0.698306 0.426293
C 1.549099 1.202057 -1.226581
C -1.663641 0.646183 0.802722
C -2.371850 -1.367911 -0.374212
C 3.346517 -2.071575 -0.639006
C 2.007839 2.450620 -0.649581
C 2.197771 2.216990 0.700848
C -2.844106 1.303492 0.389937
C -3.554623 -0.714822 -0.789772
C -3.794571 0.625658 -0.408561
H 0.688316 -1.412236 -1.183956
H -0.305814 -2.490067 0.911130
H 0.211743 -1.056514 1.838955
H 1.845528 -2.993144 0.499897
H 1.292216 1.021022 -2.268607
H -0.930060 1.177844 1.420520
H -2.196263 -2.411480 -0.666361
H 3.110497 -2.349432 -1.696068
H 4.092011 -2.787946 -0.250913
H 3.819231 -1.073655 -0.656197
H 2.172564 3.391800 -1.170543
H 2.535267 2.823066 1.537105
H -3.023260 2.341789 0.691909
H -4.288482 -1.250031 -1.403433
H -4.712120 1.133832 -0.726298


