%chk=000125277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125277

0 1
 O   -1.452900     -6.7299999E-02  0.4211000    
 O   -1.677800      -1.797200      -1.124400    
 O   -5.995800      0.4776000       2.058800    
 N   -5.502900      3.0800000E-02  0.9727000    
 C    4.159100     -0.8364000      0.2849000    
 C    4.890200      9.3199998E-02   1.269500    
 C    4.726100     -0.6873000      -1.137800    
 C    6.400600     -0.1334000       1.234300    
 C    6.237300     -0.9105000      -1.162800    
 C    6.958400      6.3000000E-03 -0.1790000    
 C    2.656300     -0.6257000      0.3198000    
 C   0.1777000       2.127400     -0.4040000    
 C    2.119900      0.6077000     -4.3400001E-02
 C   0.7389000      0.8009000     -1.1100000E-02
 C    1.819300      -1.666500      0.7147000    
 C  -0.1020000     -0.2394000      0.3839000    
 C   0.4382000      -1.473100      0.7468000    
 C    1.309700       3.122200     -0.8057000    
 C  -0.6220000       2.772000      0.7697000    
 C  -0.8084000       2.104600      -1.618000    
 C   -2.165500     -0.9342000     -0.4101000    
 C   -3.627000     -0.6872000     -0.3159000    
 C   -4.146200     -0.2060000      0.8631000    
 C   -4.423800     -0.9449000      -1.406000    
 C   -5.790800     -0.7102000      -1.306600    
 C   -6.316700     -0.2234000     -0.1145000    
 H    4.364500      -1.868200      0.6053000    
 H    4.522200     -7.5599998E-02   2.289200    
 H    4.689100       1.146200       1.036400    
 H    4.513400      0.3105000      -1.541400    
 H    4.242700      -1.405200      -1.812000    
 H    6.628400      -1.134900       1.619600    
 H    6.896000      0.5838000       1.898400    
 H    6.618300     -0.7367000      -2.175500    
 H    6.455700      -1.956600     -0.9149000    
 H    6.856900       1.047400     -0.5097000    
 H    8.029400     -0.2251000     -0.1769000    
 H    2.819700       1.376800     -0.3427000    
 H    2.225100      -2.631900       1.004500    
 H  -0.1997000      -2.289100       1.076400    
 H   0.8834000       4.096900      -1.076900    
 H    2.000700       3.321500      2.2299999E-02
 H    1.870700       2.781100      -1.684100    
 H  -1.1200000E-02   2.810000       1.679700    
 H  -0.9112000       3.801400      0.5256000    
 H   -1.544200       2.237200       1.012600    
 H   -1.069900       3.120600      -1.936800    
 H  -0.3523000       1.591400      -2.472400    
 H   -1.748400       1.597700      -1.390900    
 H   -3.586300      1.0400000E-02   1.761100    
 H   -4.014000      -1.321400      -2.338400    
 H   -6.443200     -0.9038000      -2.152100    
 H   -7.365200     -1.5500000E-02  4.1200001E-02


%chk=000125277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125277

0 1
O -1.503590 -0.166153 0.146727
O -1.921375 -1.873365 -1.418384
O -5.890129 1.377796 1.758121
N -5.522948 0.494977 0.833126
C 4.240914 -0.871817 0.262155
C 4.933339 0.021240 1.332636
C 4.883469 -0.626468 -1.135467
C 6.464092 -0.203911 1.358917
C 6.413806 -0.850330 -1.108177
C 7.094813 0.030860 -0.034237
C 2.725602 -0.685776 0.229283
C 0.175804 2.218498 -0.421981
C 2.149315 0.579432 -0.051939
C 0.751053 0.810291 -0.120932
C 1.857453 -1.777262 0.463383
C -0.068579 -0.330048 0.116034
C 0.461359 -1.600074 0.409035
C 1.298007 3.259828 -0.682264
C -0.654065 2.717848 0.800152
C -0.722301 2.175031 -1.696106
C -2.332505 -1.003801 -0.621629
C -3.777648 -0.704833 -0.369020
C -4.173501 0.226801 0.605727
C -4.749127 -1.393927 -1.140835
C -6.111060 -1.110397 -0.900710
C -6.485158 -0.178438 0.073934
H 4.445594 -1.929127 0.535682
H 4.494774 -0.184492 2.328200
H 4.727423 1.087982 1.107540
H 4.670703 0.415066 -1.453647
H 4.408236 -1.290147 -1.883311
H 6.674948 -1.244508 1.682857
H 6.930053 0.463904 2.109434
H 6.843442 -0.640765 -2.107052
H 6.622235 -1.918120 -0.887817
H 6.979439 1.099335 -0.311748
H 8.182163 -0.175956 -0.001815
H 2.822389 1.422944 -0.227646
H 2.270679 -2.767633 0.686501
H -0.213425 -2.442374 0.583996
H 0.835079 4.240982 -0.892416
H 1.958045 3.385759 0.195662
H 1.920020 2.989583 -1.555722
H -0.016250 2.796786 1.699649
H -1.074510 3.718413 0.586817
H -1.487223 2.034456 1.027810
H -1.084569 3.193331 -1.931461
H -0.152643 1.802342 -2.567007
H -1.602903 1.528949 -1.555750
H -3.482161 0.783764 1.236086
H -4.425130 -2.117380 -1.892567
H -6.899345 -1.612035 -1.468846
H -7.513601 0.091843 0.316621


