%chk=000047143.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047143

0 1
 O   0.1124000      -1.892300      5.5799998E-02
 O   -2.940400       1.358100      -1.192900    
 O    1.110100       2.621000      0.5228000    
 N   0.6137000      0.3397000      0.4878000    
 N  -0.9312000       1.963400     -0.2658000    
 C   -1.721500     -0.3224000      5.6600001E-02
 C   -2.481600      -1.372000     -0.7698000    
 C   -2.302600     -0.2882000       1.481700    
 C  -0.2514000     -0.7208000      0.1740000    
 C   -1.934000       1.052700     -0.5548000    
 C    1.970600      5.2999998E-03  0.9040000    
 C   0.3206000       1.702500      0.2872000    
 C   -1.967500      -1.417100      -2.191000    
 C   -2.104400      -1.614800       2.181400    
 C    2.920200     -0.1506000     -0.2790000    
 C    4.339200     -0.5285000      0.1520000    
 C    5.247700     -0.7359000      -1.049900    
 H   -3.557000      -1.154400     -0.7852000    
 H   -2.371700      -2.382100     -0.3623000    
 H   -3.372500     -4.4700000E-02   1.454000    
 H   -1.826800      0.4993000       2.080200    
 H    2.344300      0.7851000       1.578000    
 H    1.941900     -0.9285000       1.478500    
 H   -1.105500       2.926200     -0.5402000    
 H   -2.119600     -0.4776000      -2.729400    
 H  -0.9063000      -1.673200      -2.253800    
 H   -2.511500      -2.188000      -2.748800    
 H   -2.627500      -2.443500       1.699100    
 H   -1.052800      -1.881300       2.315700    
 H   -2.526200      -1.542900       3.191400    
 H    2.951000      0.7840000     -0.8530000    
 H    2.532700     -0.9171000     -0.9619000    
 H    4.314200      -1.449600      0.7456000    
 H    4.755100      0.2593000      0.7905000    
 H    5.316600      0.1762000      -1.651200    
 H    6.256800      -1.002700     -0.7205000    
 H    4.874900      -1.542300      -1.689400    


%chk=000047143-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047143

0 1
O 0.147462 -1.878590 0.422810
O -3.093445 1.433440 -0.909102
O 1.197849 2.666281 0.327326
N 0.660915 0.384204 0.485149
N -0.946171 1.985797 -0.259117
C -1.740745 -0.349340 0.117783
C -2.410745 -1.395949 -0.817438
C -2.424571 -0.353723 1.556962
C -0.253890 -0.687997 0.318396
C -1.994614 1.065904 -0.417841
C 2.068073 0.066865 0.867924
C 0.360972 1.734610 0.203705
C -1.862034 -1.391457 -2.259442
C -2.433277 -1.713879 2.281755
C 2.977176 -0.180266 -0.354213
C 4.423869 -0.509373 0.078491
C 5.359137 -0.749652 -1.125737
H -3.495208 -1.183160 -0.828969
H -2.256854 -2.392673 -0.371060
H -3.462460 -0.002178 1.401473
H -1.918207 0.402633 2.189757
H 2.443029 0.920473 1.457249
H 2.029680 -0.834657 1.502079
H -1.132738 2.958886 -0.523619
H -2.028253 -0.418304 -2.755961
H -0.781303 -1.622760 -2.278998
H -2.374929 -2.161600 -2.862709
H -3.057145 -2.454685 1.753095
H -1.419424 -2.136910 2.381927
H -2.856068 -1.583782 3.294770
H 2.980265 0.721144 -0.997188
H 2.567879 -1.018374 -0.950112
H 4.417554 -1.408232 0.727911
H 4.821155 0.322930 0.694415
H 5.408034 0.145149 -1.774168
H 6.387511 -0.984325 -0.795706
H 5.001519 -1.594148 -1.744199


