%chk=000032994.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032994

1 1
 O    2.768700      0.4681000      -1.103800    
 N  -0.8535000      -2.104700     -5.2900001E-02
 C   0.3653000      -1.418800      0.5473000    
 C   -2.117600      -1.528200      0.5681000    
 C    1.624900      -2.023400     -5.5300001E-02
 C  -0.8764000      -1.873700      -1.557100    
 C  -0.7851000      -3.598600      0.2299000    
 C   -2.266200     -5.3199999E-02  0.3368000    
 C    2.878400      -1.330400      0.4859000    
 C    2.861700      0.1494000      0.1965000    
 C   -1.731400      0.8451000       1.253600    
 C   -2.937800      0.4025000     -0.7922000    
 C   -1.870000       2.216400       1.038700    
 C   -3.076400       1.773700      -1.007200    
 C    2.923500       1.227300       1.005900    
 C   -2.542400       2.680700     -9.1600001E-02
 C    2.864100       2.341100      0.1348000    
 C    2.770400       1.826600      -1.137300    
 H   0.3115000     -0.3581000      0.2987000    
 H   0.3329000      -1.552700       1.634700    
 H   -2.088700      -1.753300       1.642300    
 H   -2.974700      -2.073400      0.1514000    
 H    1.728200      -3.082800      0.1985000    
 H    1.645100      -1.943400      -1.146200    
 H  -0.1470000      -2.529700      -2.040800    
 H   -1.867300      -2.146100      -1.934200    
 H  -0.6416000     -0.8291000      -1.779400    
 H   -1.752300      -4.037100     -3.6899999E-02
 H  -1.3100000E-02  -4.067800     -0.3846000    
 H  -0.5918000      -3.746500       1.296600    
 H    2.956200      -1.491400       1.567900    
 H    3.771500      -1.772100      2.8500000E-02
 H   -1.215000      0.4993000       2.144700    
 H   -3.371200     -0.2898000      -1.508200    
 H   -1.456000       2.922400       1.752600    
 H   -3.602500       2.135400      -1.885800    
 H    3.000300       1.238000       2.083400    
 H   -2.651200       3.748400     -0.2584000    
 H    2.885500       3.388100      0.4009000    
 H    2.699700       2.269900      -2.119900    


%chk=000032994-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032994

1 1
O 2.611145 0.358519 -1.095498
N -0.835685 -2.151403 -0.145801
C 0.396216 -1.556024 0.576828
C -2.151186 -1.540301 0.487081
C 1.756999 -2.128033 0.146121
C -0.788636 -1.837668 -1.636350
C -0.896605 -3.661226 0.053937
C -2.314664 -0.047292 0.327256
C 2.913331 -1.276039 0.746620
C 2.906697 0.151501 0.277621
C -1.816957 0.846356 1.313587
C -3.035830 0.480291 -0.777676
C -2.007374 2.238374 1.181154
C -3.228059 1.872306 -0.910005
C 3.193971 1.370515 0.867398
C -2.708799 2.753995 0.066549
C 3.087271 2.388990 -0.161297
C 2.733581 1.746306 -1.331401
H 0.361583 -0.471202 0.387010
H 0.226374 -1.727090 1.655734
H -2.109622 -1.837920 1.549177
H -2.972620 -2.090558 -0.003566
H 1.881666 -3.172774 0.483043
H 1.868561 -2.103608 -0.951826
H 0.065951 -2.356399 -2.092386
H -1.723411 -2.188517 -2.100263
H -0.684684 -0.752464 -1.772557
H -1.811695 -4.049479 -0.419692
H -0.016996 -4.129393 -0.409665
H -0.912251 -3.884051 1.132142
H 2.876216 -1.283952 1.851717
H 3.865307 -1.767179 0.464941
H -1.299089 0.456818 2.198814
H -3.469762 -0.195917 -1.525122
H -1.623691 2.917079 1.949293
H -3.792491 2.267007 -1.760703
H 3.469695 1.529602 1.908485
H -2.864521 3.833143 -0.031705
H 3.260775 3.456310 -0.041363
H 2.547986 2.069480 -2.351731


