%chk=000045292.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045292

0 1
 O   -1.667200     -0.8903000      -2.327600    
 O   -1.301000       1.381800      -2.447100    
 N    2.500300      0.2378000     -3.7300002E-02
 C   -1.293700      0.2957000     -0.2397000    
 C   0.1107000      0.7047000      0.1943000    
 C    1.169800     -0.1590000     -0.4822000    
 C   -1.555500      -1.155600     -2.1800000E-02
 C   -2.326900       1.169600      0.3946000    
 C   -1.414100      0.3650000      -1.774900    
 C    3.454400     -0.8565000     -0.2255000    
 C    2.949400       1.431900     -0.7555000    
 C   -1.755000      -1.756500      -1.252300    
 C   -1.609900      -1.899000       1.145600    
 C    3.327600      -1.872100      0.9087000    
 C    4.069100       2.126400      1.7600000E-02
 C   -1.954300       2.096900       1.367700    
 C   -3.664200       1.057700      1.3600000E-02
 C   -2.017800      -3.108200      -1.374800    
 C    4.301700      -3.035700      0.7201000    
 C    4.568100       3.365600     -0.7264000    
 C   -1.875000      -3.267300       1.047200    
 C   -2.077900      -3.868100     -0.2058000    
 C   -2.918900       2.912300       1.959800    
 C   -4.628700       1.873200      0.6057000    
 C   -4.256100       2.800300       1.578700    
 C    4.206600      -4.033200       1.863600    
 C    5.658500       4.082600      5.3500000E-02
 H   0.2437000      0.5774000       1.278300    
 H   0.2850000       1.759300     -4.9899999E-02
 H   0.9872000      -1.205000     -0.2236000    
 H    1.108400     -0.1044000      -1.576600    
 H    4.491400     -0.5053000     -0.2212000    
 H    3.309200      -1.343200      -1.199600    
 H    2.142700       2.163000     -0.8740000    
 H    3.280100       1.179200      -1.772000    
 H    2.313500      -2.279800      0.9776000    
 H    3.534800      -1.377000       1.866400    
 H    4.924000       1.464000      0.1864000    
 H    3.698800       2.422500       1.007800    
 H   -1.451200      -1.438200       2.114600    
 H  -0.9408000       2.240900       1.722400    
 H   -3.984700      0.3437000     -0.7400000    
 H   -2.172700      -3.568500      -2.344100    
 H    5.328900      -2.657400      0.6603000    
 H    4.089000      -3.549400     -0.2246000    
 H    3.736200       4.058800     -0.8974000    
 H    4.958400       3.077500      -1.709500    
 H   -1.923500      -3.873500       1.947700    
 H   -2.282200      -4.933700     -0.2638000    
 H   -2.630400       3.633700       2.718800    
 H   -5.670000       1.785900      0.3097000    
 H   -5.007100       3.434900       2.040100    
 H    3.199600      -4.456900       1.932000    
 H    4.911300      -4.856200       1.708200    
 H    4.445300      -3.557600       2.820100    
 H    6.521400       3.428300      0.2140000    
 H    5.999500       4.965400     -0.4963000    
 H    5.290400       4.412200       1.030300    


%chk=000045292-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045292

0 1
O -1.918863 -0.546766 -2.530849
O -1.163743 1.659160 -2.421441
N 2.586216 0.138030 -0.129830
C -1.315069 0.279673 -0.300594
C 0.148598 0.557380 0.186255
C 1.225872 -0.258688 -0.560695
C -1.666136 -1.199985 -0.283458
C -2.313550 1.188081 0.467112
C -1.426569 0.611170 -1.822492
C 3.559929 -0.985369 -0.137196
C 3.087671 1.358896 -0.817782
C -2.017627 -1.609422 -1.586969
C -1.655569 -2.153760 0.750253
C 3.392264 -1.939669 1.064026
C 4.057012 2.188249 0.050300
C -2.174194 2.599242 0.383268
C -3.363039 0.653397 1.254278
C -2.389578 -2.917662 -1.917932
C 4.382283 -3.126773 1.023884
C 4.608516 3.427035 -0.692490
C -2.021213 -3.491615 0.452821
C -2.390558 -3.864963 -0.863216
C -3.051602 3.451295 1.085670
C -4.240012 1.508818 1.960458
C -4.086562 2.910268 1.883758
C 4.219472 -4.078997 2.228199
C 5.569142 4.266203 0.177458
H 0.209094 0.334521 1.267303
H 0.352256 1.636665 0.068419
H 1.083010 -1.331435 -0.341617
H 1.093301 -0.139317 -1.665841
H 4.578076 -0.554257 -0.101339
H 3.500296 -1.572298 -1.089663
H 2.217715 1.992434 -1.076677
H 3.582596 1.102250 -1.789009
H 2.356125 -2.335427 1.091896
H 3.531125 -1.358678 1.996520
H 4.905423 1.554651 0.380243
H 3.526205 2.500843 0.970660
H -1.366657 -1.871565 1.768858
H -1.399512 3.032864 -0.257812
H -3.507767 -0.429279 1.312268
H -2.656693 -3.189653 -2.942603
H 5.421117 -2.738070 0.997344
H 4.238426 -3.693412 0.081013
H 3.762160 4.062031 -1.026219
H 5.132305 3.100362 -1.614385
H -2.019184 -4.244042 1.248451
H -2.674551 -4.901553 -1.074076
H -2.931827 4.537342 1.004022
H -5.045747 1.076855 2.564745
H -4.767988 3.572356 2.429446
H 3.200395 -4.509145 2.257322
H 4.938946 -4.917146 2.182685
H 4.383707 -3.542796 3.181817
H 6.443306 3.666448 0.494564
H 5.945697 5.149005 -0.371254
H 5.061750 4.626819 1.092025


