%chk=000002486.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002486

0 1
 O  -0.5802000      -1.890200      0.5006000    
 O    3.410200      -1.393000     -0.2425000    
 O   -1.423700      -1.635400      -1.630800    
 O   -5.519500       1.350200     -0.7466000    
 O   -4.497000       1.091300       1.265700    
 N    2.156900     -0.3486000       1.412400    
 C    1.830500       2.086100      0.9858000    
 C    1.208600       1.946800     -0.4243000    
 C    2.791900      0.9392000       1.343700    
 C   0.6917000       2.259300       2.017900    
 C    2.194200       1.834400      -1.593300    
 C    1.514700       1.788600      -2.962100    
 C    1.176500       2.407800       3.453300    
 C    2.521900      -1.421300      0.6048000    
 C    1.678800      -2.655400      0.8898000    
 C    2.527900       1.577000      -4.076800    
 C   0.4399000      -2.751100     -1.8000000E-03
 C  -0.1207000      -4.166300     -1.2700000E-02
 C   -1.453600      -1.397600     -0.4314000    
 C   -2.462500     -0.5075000      0.2621000    
 C   -3.536600      2.5300000E-02 -0.6785000    
 C   -4.549900      0.8604000      6.4599998E-02
 H    2.422800       3.011400      0.9915000    
 H   0.5455000       1.072400     -0.4436000    
 H   0.5651000       2.818100     -0.6050000    
 H    3.251900       1.115800       2.321700    
 H    3.622500      0.9086000      0.6310000    
 H  -3.5000001E-03   1.413100       1.965400    
 H   0.1120000       3.153500       1.756400    
 H    2.886100       2.684900      -1.561400    
 H    2.798700      0.9296000      -1.477200    
 H   0.9686000       2.722500      -3.137000    
 H   0.7816000      0.9738000      -2.984700    
 H    1.433400     -0.4815000       2.112600    
 H   0.3374000       2.676100       4.103700    
 H    1.598600       1.474800       3.837500    
 H    1.931900       3.195500       3.534900    
 H    1.395000      -2.666800       1.949200    
 H    2.336500      -3.517900      0.7243000    
 H    3.062500      0.6304000      -3.947400    
 H    2.022900       1.551500      -5.047400    
 H    3.263300       2.387600      -4.097100    
 H   0.7253000      -2.463200      -1.021900    
 H  -0.4314000      -4.471400      0.9928000    
 H   0.6191000      -4.883500     -0.3818000    
 H   -1.009100      -4.233700     -0.6495000    
 H   -1.919900      0.3289000      0.7170000    
 H   -2.931400      -1.092400       1.062700    
 H   -3.078300      0.6456000      -1.456700    
 H   -4.062000     -0.8078000      -1.158500    
 H   -6.166300       1.899400     -0.2542000    


%chk=000002486-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002486

0 1
O -0.590303 -1.956529 0.314911
O 2.754017 -1.277821 -0.520934
O -1.391995 -2.263746 -1.856952
O -5.202599 1.203812 -2.128414
O -3.400430 2.152163 -1.016552
N 2.427079 -0.442812 1.632120
C 2.040478 2.041716 1.300145
C 1.063875 1.879356 0.104748
C 3.058471 0.866487 1.382875
C 1.254161 2.243050 2.626507
C 1.709660 2.007228 -1.293722
C 0.680845 1.850799 -2.438096
C 2.129370 2.506455 3.872837
C 2.298324 -1.413439 0.657753
C 1.571820 -2.696791 1.085424
C 1.308313 2.040711 -3.835730
C 0.440538 -3.041707 0.104927
C -0.206767 -4.407628 0.353266
C -1.420238 -1.652453 -0.763436
C -2.312421 -0.468896 -0.425433
C -3.440594 -0.287468 -1.453043
C -3.963788 1.133409 -1.476640
H 2.650525 2.957046 1.130680
H 0.566674 0.890638 0.187694
H 0.261763 2.640799 0.198932
H 3.800975 1.062956 2.178929
H 3.605830 0.769261 0.430467
H 0.598146 1.364374 2.803204
H 0.566608 3.100531 2.486453
H 2.205466 2.997491 -1.381762
H 2.492749 1.234744 -1.419506
H -0.146640 2.576225 -2.295244
H 0.228607 0.839120 -2.376541
H 1.991112 -0.605537 2.540931
H 1.502088 2.725569 4.756322
H 2.769046 1.641312 4.130282
H 2.796183 3.374407 3.710693
H 1.167792 -2.630477 2.112796
H 2.305656 -3.524538 1.060669
H 2.117054 1.305589 -4.005392
H 0.558931 1.910695 -4.638363
H 1.744902 3.052391 -3.940443
H 0.803542 -2.954476 -0.934941
H -0.605148 -4.478628 1.381168
H 0.540617 -5.209768 0.211951
H -1.028107 -4.578784 -0.362075
H -1.682037 0.441195 -0.405312
H -2.701134 -0.586629 0.601150
H -3.059191 -0.530126 -2.464980
H -4.282260 -0.979911 -1.280439
H -5.498764 2.153934 -2.166682


