%chk=000037888.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037888

0 1
 O   -1.286100      -1.270000      0.4098000    
 O    2.895400      0.9287000     -0.1482000    
 O   -3.326000       2.148000     -0.4188000    
 N    2.567300      -1.698600     -0.4818000    
 C   0.7862000     -0.1775000      0.1318000    
 C  -0.6081000     -0.1174000      0.1213000    
 C    1.485600      -1.461600      0.4469000    
 C   -1.250500       1.079700     -0.1717000    
 C    1.533100      0.9657000     -0.1529000    
 C   -2.719200       1.112400     -0.1754000    
 C   -3.421900     -0.1670000      0.1321000    
 C  -0.5066000       2.228100     -0.4574000    
 C   0.8873000       2.166600     -0.4473000    
 C   -2.673900      -1.255700      0.4049000    
 C    2.070600      -1.780400      -1.861400    
 C    3.295500      -2.927800     -0.1422000    
 C   -4.920600     -0.1113000      8.0799997E-02
 C   -3.238000      -2.599700      0.7662000    
 C    3.563500       1.791100      0.7702000    
 C    4.866500       1.146800       1.193100    
 H    1.874800      -1.376600       1.470400    
 H   0.8001000      -2.317500      0.4472000    
 H  -0.9914000       3.171900     -0.6908000    
 H    1.457200       3.062300     -0.6795000    
 H    1.648100     -0.8391000      -2.225400    
 H    1.315600      -2.567100      -1.978800    
 H    2.898000      -2.007800      -2.544300    
 H    2.657200      -3.816700     -0.2031000    
 H    3.702800      -2.862500      0.8729000    
 H    4.149600      -3.066600     -0.8142000    
 H   -5.307100      0.4506000      0.9373000    
 H   -5.388600      -1.098600      8.2199998E-02
 H   -5.254700      0.3857000     -0.8367000    
 H   -2.621700      -3.071500       1.539900    
 H   -3.240900      -3.254100     -0.1110000    
 H   -4.252000      -2.546400       1.170200    
 H    3.764200       2.748100      0.2766000    
 H    2.947300       1.973900       1.659400    
 H    5.412900       1.789100       1.889300    
 H    4.679700      0.1812000       1.674900    
 H    5.500000      0.9498000      0.3219000    


%chk=000037888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037888

0 1
O -1.256950 -1.305035 0.312299
O 2.958601 0.909815 0.719588
O -3.315393 2.265337 -0.323180
N 2.233644 -2.010089 -0.560386
C 0.862363 -0.191495 0.473137
C -0.535699 -0.094285 0.284871
C 1.572991 -1.517815 0.680796
C -1.216708 1.134670 0.072108
C 1.590686 1.030929 0.472734
C -2.683744 1.169967 -0.126955
C -3.374263 -0.141019 -0.084889
C -0.443967 2.321536 0.056661
C 0.941984 2.282861 0.256988
C -2.651894 -1.296037 0.128674
C 1.280190 -2.418804 -1.608570
C 3.233856 -3.053650 -0.268320
C -4.877036 -0.150054 -0.282298
C -3.182779 -2.699495 0.204664
C 3.795913 2.128276 0.680967
C 5.230154 1.679441 0.945190
H 2.370024 -1.367835 1.430389
H 0.851402 -2.266635 1.086776
H -0.973150 3.264936 -0.111764
H 1.514406 3.213871 0.250841
H 0.619091 -1.574079 -1.865881
H 0.632179 -3.282304 -1.307389
H 1.837814 -2.705378 -2.518569
H 2.797081 -3.985585 0.176676
H 3.987312 -2.658159 0.436443
H 3.753400 -3.337995 -1.201265
H -5.410183 -0.569694 0.590537
H -5.176496 -0.729750 -1.174968
H -5.208877 0.892234 -0.421436
H -2.962803 -3.143718 1.193057
H -2.696378 -3.338946 -0.554869
H -4.269987 -2.721056 0.042263
H 3.698980 2.604998 -0.315080
H 3.446072 2.841855 1.454826
H 5.910167 2.550253 0.918384
H 5.313828 1.200971 1.935888
H 5.555369 0.955163 0.179462


