%chk=000005087.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005087

0 1
 O    2.085300      0.5066000      0.7060000    
 O   -4.376500       2.812200      0.9779000    
 O    2.714700      -2.200900      0.7172000    
 N   -3.200200      0.7968000      0.7279000    
 N   -5.178900       1.033100     -0.3252000    
 C   -3.349000     -0.4145000     -4.9400002E-02
 C   -2.315500     -0.4703000      -1.166100    
 C   -4.777400     -0.3266000     -0.5884000    
 C  -0.9727000     -0.9287000     -0.6623000    
 C   -4.264700       1.685300      0.5149000    
 C  -5.7000000E-02  9.7000003E-03 -0.2075000    
 C  -0.6696000      -2.282900     -0.6611000    
 C    1.187300     -0.4149000      0.2584000    
 C    1.503100      -1.773600      0.2644000    
 C   0.5746000      -2.707600     -0.1953000    
 C    3.872400       1.994800      0.1187000    
 C    3.338600      0.5723000      2.8600000E-02
 C    5.209400       2.141800     -0.6020000    
 C    5.717900       3.573400     -0.5466000    
 C    2.958200      -3.605900      0.6899000    
 H   -3.253100      -1.272700      0.6259000    
 H   -2.642500      -1.171800      -1.945400    
 H   -2.214200      0.5012000      -1.668300    
 H   -5.455000     -0.9812000     -3.0500000E-02
 H   -4.875500     -0.5383000      -1.656600    
 H   -2.405200       1.002700       1.324600    
 H   -6.056800       1.441200     -0.6305000    
 H  -0.2968000       1.069700     -0.2127000    
 H   -1.387100      -3.018000      -1.015000    
 H   0.7504000      -3.777600     -0.2195000    
 H    3.133800       2.684800     -0.3086000    
 H    3.974500       2.280800       1.173000    
 H    4.046400     -0.1092000      0.5126000    
 H    3.229100      0.2831000      -1.024600    
 H    5.952600       1.476700     -0.1472000    
 H    5.103200       1.840700      -1.650700    
 H    5.011800       4.259600      -1.025000    
 H    5.864500       3.897600      0.4886000    
 H    6.677000       3.655500      -1.067400    
 H    2.951500      -3.996800     -0.3333000    
 H    3.967300      -3.765500       1.084100    
 H    2.270500      -4.147700       1.348100    


%chk=000005087-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005087

0 1
O 1.930753 0.681436 0.196383
O -3.835978 2.754905 1.231667
O 2.744144 -2.038089 0.597622
N -3.214067 0.475744 0.870420
N -5.003266 1.265845 -0.220727
C -3.563983 -0.609058 -0.064127
C -2.572670 -0.725024 -1.265910
C -5.002865 -0.174192 -0.515768
C -1.164309 -1.093438 -0.829633
C -3.997131 1.627619 0.690943
C -0.199954 -0.092131 -0.553723
C -0.788258 -2.447068 -0.654485
C 1.100660 -0.408302 -0.102228
C 1.454237 -1.780518 0.095262
C 0.504765 -2.787292 -0.199555
C 3.885396 2.083873 -0.068795
C 3.356152 0.658312 -0.238078
C 5.376808 2.195432 -0.463275
C 5.927583 3.627069 -0.285842
C 3.103100 -3.435206 0.850657
H -3.598130 -1.581766 0.460428
H -2.971368 -1.496986 -1.953548
H -2.580286 0.239917 -1.807489
H -5.775969 -0.717118 0.066005
H -5.161456 -0.379897 -1.589893
H -2.310197 0.534040 1.336639
H -5.794170 1.884294 -0.382267
H -0.433483 0.968606 -0.697980
H -1.504451 -3.246521 -0.879545
H 0.763948 -3.842134 -0.067045
H 3.278123 2.775902 -0.683414
H 3.751660 2.390678 0.986658
H 3.916152 -0.064699 0.379424
H 3.403322 0.334947 -1.298421
H 5.974642 1.490437 0.149817
H 5.505303 1.878448 -1.518659
H 5.364237 4.347733 -0.907758
H 5.842860 3.955683 0.766828
H 6.992544 3.689046 -0.575728
H 3.090808 -4.031928 -0.082265
H 4.126110 -3.398802 1.253351
H 2.425084 -3.894896 1.595656


