%chk=000002313.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002313

0 1
 O   -2.698500     -5.3300001E-02 -0.1487000    
 O   -4.750100      -2.997500      8.5400000E-02
 O   -5.195900     -0.9444000     -0.7938000    
 N   0.4752000      0.3093000      0.9444000    
 N  -0.6332000     -0.4340000      0.7897000    
 C   0.3748000       1.578000      0.4402000    
 C    1.624200     -0.2699000       1.601200    
 C  -0.9092000       1.662100     -8.6599998E-02
 C   -1.473100      0.3921000      0.1619000    
 C    2.539000     -0.9439000      0.6144000    
 C    1.284300       2.637100      0.4026000    
 C   -1.328900       2.859900     -0.6888000    
 C   0.8516000       3.823100     -0.1996000    
 C  -0.4321000       3.934500     -0.7370000    
 C    3.560300     -0.2150000      2.0000000E-02
 C    2.349500      -2.285200      0.3114000    
 C    4.407900     -0.8395000     -0.8950000    
 C    3.197200      -2.909900     -0.6034000    
 C   -3.034100      -1.401100      0.2169000    
 C    4.226300      -2.186800      -1.206600    
 C   -4.435200      -1.715600     -0.2286000    
 H    1.264400     -0.9830000       2.353600    
 H    2.148200      0.5174000       2.155300    
 H    2.277400       2.566300      0.8294000    
 H   -2.324900       2.958700      -1.109700    
 H    1.526800       4.673900     -0.2469000    
 H  -0.7417000       4.868600      -1.198600    
 H    3.725300      0.8298000      0.2606000    
 H    1.550600      -2.857500      0.7746000    
 H    5.211200     -0.2776000      -1.362500    
 H    3.056000      -3.959000     -0.8463000    
 H   -2.354500      -2.099800     -0.2847000    
 H   -2.991200      -1.510300       1.306600    
 H    4.886800      -2.673300      -1.918400    
 H   -5.660900      -3.230100     -0.1952000    


%chk=000002313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002313

0 1
O -2.983780 -0.080559 0.021670
O -5.280595 -2.791214 0.787623
O -5.643603 -0.780376 -0.334006
N 0.436476 0.109969 0.887104
N -0.793264 -0.584492 0.886745
C 0.329766 1.336496 0.239661
C 1.602054 -0.494144 1.534573
C -1.033310 1.458909 -0.200281
C -1.653469 0.236010 0.235331
C 2.719303 -0.888850 0.568191
C 1.282978 2.356880 -0.004043
C -1.464794 2.618313 -0.891982
C 0.833303 3.499252 -0.690667
C -0.521838 3.633745 -1.130010
C 4.071845 -0.644341 0.907308
C 2.420827 -1.535602 -0.657173
C 5.114709 -1.045877 0.040532
C 3.459993 -1.932223 -1.526371
C -3.398993 -1.369625 0.572244
C 4.810739 -1.691015 -1.179512
C -4.875220 -1.550449 0.265335
H 1.214234 -1.384828 2.059993
H 1.998879 0.197461 2.303242
H 2.325913 2.257480 0.311321
H -2.502558 2.711004 -1.226297
H 1.541851 4.308663 -0.900121
H -0.821698 4.542800 -1.661963
H 4.312881 -0.138639 1.851353
H 1.374556 -1.718244 -0.928652
H 6.157841 -0.850710 0.313651
H 3.218981 -2.428766 -2.473019
H -2.816189 -2.198759 0.126527
H -3.232858 -1.405934 1.666248
H 5.616329 -1.999202 -1.855205
H -6.247790 -2.929033 0.598448


