%chk=000071532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071532

1 1
 O  -0.8178000      0.5266000      0.7383000    
 O   0.1275000      0.3723000      -1.364000    
 O    4.284200     -0.4573000     -3.2900002E-02
 N   -4.774500     -0.5442000      0.2610000    
 C   -3.997100     -0.4247000      -1.066500    
 C   -4.569500      0.8795000      0.8197000    
 C   -4.484000      0.9223000      -1.626100    
 C   -4.855300       1.768900     -0.4017000    
 C   -2.486400     -0.3712000     -0.7770000    
 C   -3.109900       1.049000       1.277300    
 C   -2.092100      0.7832000      0.1573000    
 C   -4.302300      -1.668000       1.181200    
 C   -6.267300     -0.8362000      9.8000001E-03
 C   0.2092000      0.3390000     -0.1436000    
 C    1.481300      8.1000000E-02  0.6056000    
 C    2.489800       1.162400      0.3131000    
 C    2.010500      -1.291800      0.2778000    
 C    3.820200      0.8357000      3.0400001E-02
 C    3.367500      -1.481800     -3.5000001E-03
 C    2.112600       2.513500      0.3377000    
 C    1.152800      -2.402000      0.2674000    
 C    4.761800       1.840700     -0.2082000    
 C    3.863000      -2.760000     -0.2762000    
 C    3.051600       3.516200      9.2799999E-02
 C    1.646700      -3.677000     -1.1500000E-02
 C    4.376100       3.179700     -0.1774000    
 C    3.001700      -3.855900     -0.2809000    
 H   -4.255900      -1.275700      -1.705300    
 H   -5.271800       1.040500       1.644200    
 H   -5.365300      0.7796000      -2.262200    
 H   -3.729700       1.415400      -2.248800    
 H   -4.297900       2.711400     -0.3734000    
 H   -5.917100       2.038300     -0.4424000    
 H   -2.132400      -1.332400     -0.3873000    
 H   -1.995200     -0.2645000      -1.750100    
 H   -2.960400       2.072700       1.646000    
 H   -2.898800      0.4177000       2.148400    
 H   -2.005500       1.705000     -0.4341000    
 H   -4.462100      -2.618900      0.6640000    
 H   -3.245600      -1.562600       1.425100    
 H   -4.893900      -1.624000       2.100700    
 H   -6.703600     -8.0300003E-02 -0.6445000    
 H   -6.344400      -1.820900     -0.4612000    
 H   -6.780300     -0.8284000      0.9762000    
 H    1.288700      0.1029000       1.687200    
 H    1.089800       2.802800      0.5654000    
 H   9.5899999E-02  -2.292600      0.4957000    
 H    5.796200       1.586200     -0.4237000    
 H    4.918200      -2.907300     -0.4910000    
 H    2.750700       4.559500      0.1190000    
 H   0.9754000      -4.530700     -1.1900000E-02
 H    5.107500       3.960200     -0.3653000    
 H    3.386600      -4.848500     -0.4952000    


%chk=000071532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071532

1 1
O -0.880005 0.531119 0.892366
O 0.232987 1.287198 -1.012813
O 3.567652 -0.358454 -1.021333
N -4.763090 -0.751124 -0.025246
C -3.861520 -0.497088 -1.285871
C -4.661054 0.659196 0.657879
C -4.406902 0.861946 -1.808249
C -4.924816 1.619936 -0.536043
C -2.386413 -0.402847 -0.849844
C -3.248825 0.840976 1.253614
C -2.156036 0.748818 0.165669
C -4.314369 -1.914148 0.845877
C -6.203023 -1.044132 -0.441263
C 0.293258 0.829821 0.143838
C 1.548627 0.447288 0.946073
C 2.716338 1.345144 0.564427
C 1.845409 -1.023068 0.628768
C 3.632099 0.928355 -0.428354
C 2.797777 -1.342483 -0.370797
C 2.885682 2.628980 1.133094
C 1.159179 -2.083341 1.267787
C 4.674642 1.764099 -0.875862
C 3.040358 -2.679163 -0.755315
C 3.926840 3.479707 0.706052
C 1.398784 -3.425707 0.904822
C 4.815354 3.046668 -0.308525
C 2.333867 -3.719083 -0.119713
H -4.019217 -1.336181 -1.984826
H -5.433985 0.706185 1.443683
H -5.209938 0.719916 -2.549566
H -3.600805 1.413333 -2.317424
H -4.386053 2.567266 -0.375888
H -5.993153 1.876011 -0.623280
H -2.020923 -1.356860 -0.430057
H -1.779455 -0.214163 -1.752410
H -3.213811 1.835535 1.732471
H -3.047656 0.112908 2.058214
H -2.067076 1.702339 -0.387273
H -4.393350 -2.842121 0.258003
H -3.280244 -1.785379 1.180482
H -4.978829 -1.974145 1.722209
H -6.598783 -0.232590 -1.062787
H -6.221765 -1.986454 -1.010555
H -6.819785 -1.147142 0.465123
H 1.298091 0.554923 2.016173
H 2.191415 2.964566 1.913565
H 0.440414 -1.845623 2.061207
H 5.359174 1.396490 -1.645509
H 3.788546 -2.879141 -1.527674
H 4.046325 4.470363 1.155574
H 0.877266 -4.238291 1.421065
H 5.623228 3.702613 -0.648511
H 2.526969 -4.757672 -0.407647


