%chk=000095374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095374

0 1
 O   -2.928100       1.768500      0.1588000    
 O  -0.9180000      -2.537800      0.9664000    
 O   -4.743800      0.8711000     -0.9298000    
 O  -0.2420000     -0.7408000      -2.739100    
 O   -1.584700     -0.7765000       2.299200    
 O    6.001100      0.3083000      5.7700001E-02
 O    5.130600       1.894800       1.300500    
 N   -1.222200      7.6399997E-02 -0.8025000    
 N    5.014600      0.9732000      0.4568000    
 C   -2.587600     -0.1904000      -1.177600    
 C   -3.015000      -1.605900     -0.7716000    
 C   -3.136800      -1.818700      0.7413000    
 C   -3.549800      0.8634000     -0.6478000    
 C  -0.1479000     -0.2261000      -1.628000    
 C   -1.812100      -1.621900       1.444700    
 C    1.199000      8.6499996E-02  -1.084700    
 C   -3.764200       2.795000      0.7026000    
 C    2.310300     -0.6397000      -1.512800    
 C    1.352100       1.106600     -0.1456000    
 C    3.574500     -0.3461000      -1.001900    
 C    2.616200       1.400200      0.3654000    
 C   0.3931000      -2.475700       1.536800    
 C    3.727500      0.6738000     -6.2700003E-02
 C   -2.923500       3.708800       1.568300    
 C    1.256800      -3.546900      0.9058000    
 H   -2.639400     -0.1135000      -2.271300    
 H   -3.995900      -1.819500      -1.215400    
 H   -2.317300      -2.337700      -1.197600    
 H   -3.491200      -2.832700      0.9582000    
 H   -3.867200      -1.129700       1.179100    
 H   -1.067600      0.4656000      0.1210000    
 H   -4.556200       2.338200       1.306700    
 H   -4.214700       3.369900     -0.1142000    
 H    2.210100      -1.441700      -2.239300    
 H   0.5198000       1.717400      0.1911000    
 H    4.417200     -0.9336000      -1.357200    
 H    2.699100       2.205900       1.090400    
 H   0.8292000      -1.488400       1.362900    
 H   0.3257000      -2.650100       2.616600    
 H   -2.451300       3.143900       2.378900    
 H   -2.115100       4.158400      0.9821000    
 H   -3.532400       4.507100       2.001600    
 H   0.8306000      -4.539600       1.084600    
 H    1.305100      -3.414200     -0.1798000    
 H    2.271900      -3.520200       1.311500    


%chk=000095374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095374

0 1
O -2.688414 1.792524 0.020873
O -1.512876 -3.686104 1.782425
O -4.414989 0.251995 -0.216983
O -0.615564 1.582838 -2.761813
O -0.401226 -1.836603 0.954083
O 6.067636 2.880943 -1.146758
O 6.003688 1.301401 0.497037
N -0.832671 0.084207 -0.998248
N 5.453397 1.979816 -0.455140
C -2.233369 -0.205691 -1.292496
C -2.566248 -1.723168 -1.235831
C -2.699137 -2.391369 0.158276
C -3.229753 0.607808 -0.436639
C -0.110466 0.972250 -1.762723
C -1.425414 -2.577053 0.964729
C 1.335127 1.186453 -1.367826
C -3.618831 2.704637 0.766195
C 2.058164 2.161353 -2.103305
C 1.988176 0.471068 -0.327141
C 3.406966 2.431631 -1.813356
C 3.339161 0.728153 -0.025621
C -0.347380 -3.954492 2.693713
C 4.029541 1.707091 -0.772931
C -2.826713 3.966752 1.086027
C -0.705153 -5.192751 3.506607
H -2.401213 0.147568 -2.332617
H -3.546100 -1.854153 -1.727798
H -1.816414 -2.254304 -1.850287
H -3.164557 -3.385916 0.045744
H -3.408619 -1.802412 0.773807
H -0.431566 -0.437167 -0.204126
H -3.966272 2.173991 1.671144
H -4.494330 2.899970 0.121374
H 1.528841 2.689850 -2.902134
H 1.466401 -0.294593 0.255854
H 3.979882 3.179532 -2.367283
H 3.863602 0.189919 0.767990
H 0.549102 -4.099049 2.065001
H -0.192134 -3.059041 3.321583
H -1.950992 3.736184 1.716182
H -2.471561 4.450603 0.160720
H -3.469622 4.682249 1.630516
H -1.617353 -5.024362 4.103505
H -0.872822 -6.063036 2.849916
H 0.122573 -5.433923 4.197850


