%chk=000036691.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036691

0 1
 O   -1.031500      0.6866000      0.3117000    
 O   0.8562000      0.6608000       2.044300    
 O   0.4853000       2.033300     -0.7939000    
 N   -4.622000       1.484700     -0.3830000    
 N   0.8577000      -3.116000     -0.9532000    
 C   -3.441400      0.7793000      0.1668000    
 C   -3.466800     -0.7072000     -0.2434000    
 C   -4.761900      -1.390800      0.1753000    
 C   -5.875900      0.8575000      7.1000002E-02
 C   -5.958900     -0.6097000     -0.3438000    
 C   -2.114000       1.384400     -0.3123000    
 C    1.246000      0.3019000      0.7024000    
 C   -4.641100       2.907200     -2.9899999E-02
 C    2.670300      0.7502000      0.3603000    
 C    1.022600      -1.191500      0.5250000    
 C   0.2165000       1.120900     -2.4200000E-02
 C    3.324300      0.4222000     -0.8536000    
 C    2.808400     -0.4800000      -1.960700    
 C    1.365700     -0.9708000      -1.962700    
 C    1.050300      -1.787500     -0.7422000    
 C    3.376800       1.555300       1.286900    
 C   0.8042000      -2.049300       1.613800    
 C    4.632200      0.9164000      -1.082600    
 C    4.664900       2.030800       1.034900    
 C    5.293900       1.713900     -0.1551000    
 C   0.6033000      -3.411900       1.420500    
 C   0.6350000      -3.890900      0.1274000    
 H   -3.461600      0.8219000       1.265500    
 H   -2.629000      -1.248700      0.2118000    
 H   -3.347700     -0.7978000      -1.331400    
 H   -4.807700      -1.453800       1.269400    
 H   -4.786900      -2.416700     -0.2082000    
 H   -6.733200       1.378300     -0.3732000    
 H   -5.976400      0.9386000       1.161600    
 H   -6.000000     -0.6823000      -1.437900    
 H   -6.884700      -1.051900      4.1099999E-02
 H   -2.032500       2.436200     -2.0199999E-02
 H   -2.021000       1.306900      -1.402700    
 H   -4.560200       3.064900       1.051500    
 H   -5.569300       3.379300     -0.3736000    
 H   -3.837200       3.454500     -0.5309000    
 H    2.960800      4.7499999E-02  -2.912500    
 H    3.465400      -1.361600      -1.982100    
 H    1.228600      -1.604800      -2.849500    
 H   0.6516000     -0.1562000      -2.096400    
 H    2.921100       1.839900       2.232900    
 H   0.7953000      -1.678600       2.635200    
 H    5.151000      0.6648000      -2.006600    
 H  -4.1299999E-02  0.3278000       2.220000    
 H    5.168500       2.649700       1.771600    
 H    6.295900       2.076700     -0.3610000    
 H   0.4309000      -4.075100       2.260300    
 H   0.4838000      -4.944600     -8.1200004E-02


%chk=000036691-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036691

0 1
O -1.064936 0.740003 0.288859
O 0.965009 0.619492 2.066987
O 0.431813 1.949094 -1.027522
N -4.689501 1.517098 -0.342399
N 0.940843 -3.206698 -1.007931
C -3.493186 0.814110 0.210566
C -3.511107 -0.682216 -0.190097
C -4.814820 -1.379618 0.246880
C -5.955818 0.869111 0.103024
C -6.028016 -0.609899 -0.314766
C -2.210880 1.482164 -0.316043
C 1.261384 0.257310 0.662472
C -4.721826 2.967768 -0.038071
C 2.695051 0.724505 0.348186
C 1.073902 -1.261881 0.473380
C 0.216039 1.080925 -0.163053
C 3.389815 0.381320 -0.850112
C 2.909649 -0.509381 -2.006952
C 1.456861 -1.043174 -2.044071
C 1.123984 -1.863079 -0.817354
C 3.325855 1.557323 1.309331
C 0.873323 -2.098509 1.593553
C 4.705368 0.895546 -1.020490
C 4.630122 2.051102 1.116871
C 5.329299 1.717030 -0.063668
C 0.695197 -3.486531 1.402788
C 0.720759 -3.992714 0.086005
H -3.485294 0.882596 1.333324
H -2.629690 -1.181398 0.250226
H -3.414415 -0.743140 -1.292754
H -4.873305 -1.405565 1.354930
H -4.819417 -2.429878 -0.099905
H -6.795579 1.431027 -0.346440
H -6.068854 0.938618 1.218450
H -6.029555 -0.671937 -1.419961
H -6.978184 -1.046015 0.048812
H -2.108400 2.539184 -0.018930
H -2.148128 1.408965 -1.416689
H -4.634986 3.191444 1.055658
H -5.680682 3.383993 -0.393169
H -3.918744 3.506517 -0.568461
H 3.082079 0.051054 -2.946556
H 3.587377 -1.386673 -2.047986
H 1.348544 -1.703525 -2.920980
H 0.751879 -0.204474 -2.178888
H 2.771834 1.805821 2.216489
H 0.875222 -1.664070 2.597247
H 5.247129 0.636398 -1.939417
H -0.017809 0.522336 2.183934
H 5.091485 2.689918 1.877818
H 6.344034 2.091975 -0.238165
H 0.542413 -4.158714 2.252927
H 0.571160 -5.059959 -0.114687


