%chk=000051036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051036

0 1
 O    3.939200       1.186200       1.531100    
 O    1.625700      -1.979100     -0.2307000    
 O   0.9028000       2.696600      -2.108100    
 O  -0.9109000      8.5100003E-02   2.194400    
 O    1.212800      -4.209700      0.1618000    
 O   -6.869500      -1.965000     -0.5518000    
 N    5.434900     -0.1618000     -0.6049000    
 N    2.673100       1.051900     -0.4901000    
 N   -2.742500       1.511000      0.7937000    
 N    1.340000      -3.384000      -1.980400    
 C    4.205700     -0.6554000      1.7200001E-02
 C    3.243200      0.3001000      0.6551000    
 C    4.268300     -0.3586000      -1.446600    
 C    3.345000      0.7824000      -1.757600    
 C    1.970400     -0.2519000       1.383400    
 C    1.327000       1.258300     -0.2968000    
 C   0.8738000      0.5907000      0.7621000    
 C    1.689200      -1.736600       1.162300    
 C   0.4633000       2.087800      -1.138900    
 C  -0.5230000      0.6736000       1.190000    
 C    4.346600      0.5237000       2.718000    
 C  -0.9824000       2.158000     -0.7400000    
 C   -1.449300       1.504400      0.3467000    
 C   -1.826300       3.011800      -1.648900    
 C    1.378300      -3.272900     -0.6125000    
 C   -3.779600      0.6374000      0.4551000    
 C   -5.053100      0.7962000       1.017300    
 C   -3.559900     -0.4092000     -0.4506000    
 C   -6.088300     -7.5800002E-02  0.6800000    
 C   -4.595200      -1.281000     -0.7878000    
 C   -5.859400      -1.114300     -0.2225000    
 H    4.256400      -1.660300      0.3993000    
 H    4.291800      -1.159700      -2.168300    
 H    6.092100     -0.9305000     -0.7324000    
 H    3.895700       1.664900      -2.098100    
 H    2.630300      0.4838000      -2.532100    
 H    1.964800     -5.5300001E-02   2.458400    
 H   0.7362000      -2.019400       1.625700    
 H    2.480000      -2.343600       1.618000    
 H    4.552400     -0.5429000       2.586200    
 H    3.608600      0.6742000       3.510900    
 H    5.271400       1.000100       3.058300    
 H   -2.869200       3.070000      -1.323300    
 H   -1.821600       2.604600      -2.665500    
 H   -1.438400       4.035500      -1.680000    
 H   -2.883100       2.017000       1.663100    
 H    1.484800      -2.578000      -2.579300    
 H    1.167200      -4.274700      -2.434100    
 H   -5.247000       1.601500       1.721800    
 H   -2.587900     -0.5705000     -0.9097000    
 H   -7.068700      6.4800002E-02   1.127200    
 H   -4.410900      -2.088400      -1.491200    
 H   -7.672100      -1.702900     -6.8999998E-02


%chk=000051036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051036

0 1
O 3.801278 1.384998 1.475607
O 1.726402 -2.502294 0.208168
O 0.573667 2.116313 -2.204351
O -0.898569 -0.553758 2.405025
O 3.695965 -3.814555 0.197432
O -7.953707 0.115618 -1.351040
N 5.506199 0.195361 -0.541073
N 2.539561 0.881107 -0.445022
N -2.802556 0.480670 0.962583
N 2.085896 -3.942147 -1.504210
C 4.328879 -0.611660 0.009206
C 3.258063 0.251438 0.704020
C 4.364939 -0.210903 -1.457970
C 3.337583 0.910413 -1.693019
C 2.109242 -0.434051 1.546066
C 1.189351 0.868161 -0.237366
C 0.861102 0.198867 0.941044
C 2.034379 -1.972605 1.563871
C 0.177158 1.508855 -1.142072
C -0.491878 0.073413 1.347928
C 4.823899 1.006197 2.455973
C -1.224110 1.429647 -0.730925
C -1.551955 0.707754 0.427026
C -2.207374 2.247487 -1.543357
C 2.602832 -3.463191 -0.322173
C -4.087874 0.445043 0.351679
C -5.221293 0.805321 1.125030
C -4.279472 -0.043253 -0.970245
C -6.519466 0.702738 0.586168
C -5.571812 -0.137757 -1.515589
C -6.693711 0.239139 -0.740835
H 4.485885 -1.647922 0.318814
H 4.539319 -0.953899 -2.242236
H 6.324620 -0.431856 -0.676848
H 3.837420 1.886278 -1.815672
H 2.681895 0.734638 -2.559459
H 2.240286 -0.123717 2.600571
H 1.188985 -2.276015 2.203900
H 2.970784 -2.436398 1.922311
H 5.734110 0.631949 1.953042
H 4.451470 0.247749 3.177505
H 5.058659 1.933928 3.000194
H -2.980055 2.704915 -0.901966
H -2.734753 1.660647 -2.319384
H -1.652439 3.042029 -2.069197
H -2.711868 0.046787 1.903336
H 1.174148 -3.628840 -1.829532
H 2.602075 -4.656849 -2.009129
H -5.080636 1.179172 2.144983
H -3.415524 -0.376819 -1.552070
H -7.386476 0.989955 1.194733
H -5.732237 -0.514705 -2.529711
H -8.675582 0.396709 -0.735861


