%chk=000065742.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065742

0 1
 O   0.1045000       2.488700      0.5142000    
 O    2.674900       1.602800      0.4387000    
 O    3.215600      -1.081100      5.3900000E-02
 N   -3.205100     -0.2725000     -0.1941000    
 C   -2.181500      0.7790000      5.2600000E-02
 C  -0.7364000      0.2733000      5.4499999E-02
 C   -2.840800      -1.558800      0.4114000    
 C   -1.562800      -2.086700     -0.2323000    
 C  -0.4457000      -1.094800     -8.3999999E-02
 C   -2.345700       1.868800      -1.024400    
 C   0.3306000       1.167600      0.2492000    
 C   0.8854000      -1.535800     -0.1015000    
 C   -4.528200      0.1320000      0.2966000    
 C    1.652900      0.7201000      0.2477000    
 C    1.930600     -0.6301000      6.2799998E-02
 C    3.641600       1.707900     -0.6037000    
 C    3.410300      -2.480600     -0.1419000    
 H   -2.354100       1.216700       1.045800    
 H   -3.632900      -2.298100      0.2384000    
 H   -2.716300      -1.460700       1.498600    
 H   -1.722500      -2.287500      -1.298900    
 H   -1.294000      -3.034000      0.2503000    
 H   -1.729300       2.752500     -0.8488000    
 H   -2.086100       1.481000      -2.017200    
 H   -3.372400       2.243900      -1.077600    
 H    1.036700      -2.601900     -0.2365000    
 H   -4.887000       1.040600     -0.1947000    
 H   -4.529700      0.3022000       1.379400    
 H   -5.271500     -0.6420000      7.2800003E-02
 H   0.9608000       2.935600      0.6309000    
 H    3.981900       2.747000     -0.6433000    
 H    3.225300       1.448300      -1.583400    
 H    4.506500       1.078000     -0.3778000    
 H    3.046500      -2.806100      -1.122500    
 H    2.982300      -3.066400      0.6788000    
 H    4.490500      -2.659600     -0.1294000    


%chk=000065742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065742

0 1
O 0.077868 2.481793 0.457466
O 2.605977 1.666990 0.484715
O 3.276167 -1.087076 0.021556
N -3.264051 -0.254055 -0.057913
C -2.212201 0.811543 -0.023404
C -0.791659 0.245479 -0.008749
C -2.861620 -1.571701 0.475173
C -1.658567 -2.100962 -0.323621
C -0.498989 -1.127578 -0.199277
C -2.402407 1.757305 -1.242373
C 0.302927 1.120863 0.202949
C 0.837618 -1.598410 -0.203051
C -4.546058 0.211360 0.501027
C 1.644927 0.667006 0.183552
C 1.919727 -0.709634 -0.012256
C 3.715447 1.831076 -0.481503
C 3.573077 -2.515389 -0.103783
H -2.324394 1.430687 0.902174
H -3.724211 -2.256026 0.362978
H -2.600014 -1.540805 1.565084
H -1.968546 -2.211997 -1.381231
H -1.361192 -3.100993 0.045479
H -1.689396 2.596522 -1.192056
H -2.244789 1.192571 -2.177307
H -3.425700 2.173414 -1.259580
H 1.016021 -2.670086 -0.333452
H -4.866229 1.141894 0.001253
H -4.501589 0.413650 1.601947
H -5.327096 -0.550364 0.324273
H 0.973815 2.886769 0.635423
H 4.311753 2.673076 -0.097555
H 3.321121 2.069059 -1.488244
H 4.320482 0.911316 -0.519225
H 3.232969 -2.914640 -1.079161
H 3.105341 -3.093497 0.716352
H 4.668369 -2.589857 -0.033061


