%chk=000059339.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059339

0 1
 O   -3.059100      -2.489200       1.343400    
 O   -4.636300     -0.8350000     -0.2352000    
 O    3.803300       1.897700       2.165100    
 O   -1.910400       4.013700     -0.9868000    
 O  -0.8662000       3.167300      0.7590000    
 N    1.330100       1.580700     -3.8000001E-03
 N   -1.212700       3.155200     -0.4300000    
 N    3.732700     -0.1502000       1.124800    
 C   0.9394000      0.1940000      0.3324000    
 C   0.7561000       2.009200      -1.291400    
 C  -0.7708000       2.001000      -1.250300    
 C  -0.5629000     -5.5300001E-02  0.1931000    
 C   -1.367000      0.7922000     -0.5909000    
 C    1.842400     -0.8758000     -0.2939000    
 C    2.774200       1.821500     -9.9999997E-05
 C   -1.153600      -1.152100      0.8461000    
 C    3.149400      -1.058400      0.2122000    
 C   -2.736100      0.5110000     -0.7292000    
 C    3.447300       1.203700       1.211700    
 C    1.392100      -1.745700      -1.300100    
 C   -2.515400      -1.415800      0.7052000    
 C   -3.305200     -0.5874000     -8.6199999E-02
 C    3.909500      -2.169000     -0.1718000    
 C    2.180200      -2.818400      -1.721900    
 C    3.425900      -3.043200      -1.142500    
 C   -3.068200      -3.727700      0.6362000    
 C   -5.518500     -0.2243000      0.7046000    
 H    1.083900      0.1100000       1.421100    
 H    1.101500       1.344400      -2.094800    
 H    1.107900       3.018300      -1.546600    
 H   -1.170500       2.130900      -2.263100    
 H    2.960600       2.902100      3.7900001E-02
 H    3.266400       1.453500     -0.9100000    
 H  -0.5430000      -1.808300       1.462900    
 H   -3.362800       1.158500      -1.338800    
 H   0.4120000      -1.622600      -1.752800    
 H    4.451700     -0.5165000       1.743000    
 H    4.899200      -2.336400      0.2458000    
 H    1.810300      -3.492000      -2.489800    
 H    4.028000      -3.889500      -1.459800    
 H   -2.046100      -4.045800      0.4070000    
 H   -3.650500      -3.640300     -0.2865000    
 H   -3.535000      -4.483100       1.274200    
 H   -5.446800      0.8663000      0.6451000    
 H   -5.291900     -0.5612000       1.721200    
 H   -6.541300     -0.5217000      0.4576000    


%chk=000059339-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059339

0 1
O -2.986863 -2.566628 1.374849
O -4.680786 -0.803264 -0.255824
O 3.994172 2.032585 2.133434
O -0.556219 4.397892 -1.063431
O -1.916495 3.313658 0.400665
N 1.352902 1.574750 -0.092065
N -1.096528 3.336375 -0.578110
N 3.699237 -0.086904 1.239352
C 0.982064 0.203732 0.376760
C 0.800316 1.911046 -1.419729
C -0.727350 1.984204 -1.319156
C -0.510345 -0.049992 0.182882
C -1.323106 0.789491 -0.621521
C 1.882125 -0.892713 -0.230311
C 2.810496 1.864039 -0.023341
C -1.098931 -1.168133 0.817279
C 3.215420 -1.012670 0.263762
C -2.704981 0.511723 -0.752008
C 3.514432 1.304074 1.221149
C 1.457035 -1.789903 -1.238441
C -2.470240 -1.455177 0.678044
C -3.293488 -0.582737 -0.097204
C 4.062190 -2.053904 -0.189747
C 2.307216 -2.813229 -1.713506
C 3.605231 -2.957934 -1.170914
C -3.651544 -3.593340 0.535823
C -5.466944 -0.626878 0.991449
H 1.175316 0.202013 1.468302
H 1.072225 1.170228 -2.211715
H 1.188863 2.895637 -1.729803
H -1.168453 2.142540 -2.321035
H 2.948885 2.957373 -0.001705
H 3.350435 1.457557 -0.915239
H -0.493617 -1.848227 1.425836
H -3.356741 1.165841 -1.341240
H 0.434748 -1.711263 -1.624199
H 4.317403 -0.428045 1.982612
H 5.079493 -2.137204 0.210326
H 1.955667 -3.502367 -2.488613
H 4.263713 -3.760440 -1.520269
H -2.907726 -4.075590 -0.126125
H -4.462044 -3.149375 -0.068276
H -4.053943 -4.330887 1.246251
H -5.397070 0.421739 1.335119
H -5.106749 -1.307048 1.784466
H -6.505623 -0.866343 0.718467


