%chk=000068640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068640

1 1
 O   0.8136000      0.1097000       1.373500    
 O   -1.923900     -0.2682000       2.228200    
 O  -0.3398000       2.087400       1.157500    
 N    4.559100      0.5979000     -0.5559000    
 C    3.424400       1.564100     -0.9168000    
 C    4.540400      0.2739000      0.9428000    
 C    2.055600      0.7115000       1.025600    
 C    2.069500       1.039100     -0.4628000    
 C    3.181900     -0.2469000       1.391000    
 C    4.491600     -0.6754000      -1.398800    
 C    5.891300       1.287200     -0.8773000    
 C  -0.3089000      0.8628000       1.130300    
 C   -1.517800     -3.7700001E-02  0.8636000    
 C   -1.168300      -1.363900      0.1841000    
 C   -2.636600      0.6839000      0.1089000    
 C  -0.7250000      -1.339600      -1.118100    
 C   -3.941200      0.4292000      0.4640000    
 C   -1.310300      -2.529000      0.9018000    
 C   -2.295000       1.560200     -0.8954000    
 C  -0.4062000      -2.548000      -1.737400    
 C   -4.961000       1.086900     -0.2237000    
 C  -0.9914000      -3.737600      0.2824000    
 C   -3.314800       2.218000      -1.583000    
 C  -0.5393000      -3.747000      -1.037200    
 C   -4.647900       1.981400      -1.247000    
 H    3.448200       1.714500      -2.002100    
 H    3.644700       2.518800     -0.4242000    
 H    4.784900       1.200600       1.476000    
 H    5.330000     -0.4612000       1.134900    
 H    2.179300       1.630900       1.613300    
 H    1.315700       1.794400     -0.7094000    
 H    1.790100      0.1554000      -1.046400    
 H    2.984200      -1.239700      0.9688000    
 H    3.189400     -0.3993000       2.477500    
 H    5.342100      -1.309800      -1.132100    
 H    3.556300      -1.200800      -1.198800    
 H    4.544300     -0.3922000      -2.454400    
 H    5.909400       1.522200      -1.945700    
 H    5.961600       2.203700     -0.2839000    
 H    6.705100      0.6028000     -0.6195000    
 H   -2.324300      0.5473000       2.576800    
 H  -0.5927000     -0.4235000      -1.680800    
 H   -4.207800     -0.2739000       1.246500    
 H   -1.659700      -2.561500       1.927800    
 H   -1.269900       1.755200      -1.191300    
 H  -4.9100000E-02  -2.555200      -2.763100    
 H   -5.999200      0.9000000      3.5000000E-02
 H   -1.094800      -4.671500      0.8271000    
 H   -3.071500       2.911700      -2.382500    
 H  -0.2896000      -4.687700      -1.518900    
 H   -5.442000       2.492400      -1.783600    


%chk=000068640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068640

1 1
O 0.850190 0.036693 0.407978
O -1.736123 0.024376 2.152384
O -0.145024 2.123160 0.616378
N 5.031167 0.696028 -0.389920
C 4.031272 1.818616 -0.774398
C 4.591630 0.072118 0.960985
C 2.170475 0.691782 0.533062
C 2.576564 1.332386 -0.810703
C 3.140608 -0.427590 0.941469
C 5.098101 -0.367511 -1.482377
C 6.418692 1.309222 -0.221211
C -0.269392 0.881718 0.521404
C -1.583498 0.065683 0.667803
C -1.427881 -1.385961 0.187700
C -2.802566 0.747722 0.031487
C -1.508972 -1.676808 -1.196464
C -4.078268 0.246602 0.407185
C -1.194098 -2.433105 1.108942
C -2.724333 1.798116 -0.914610
C -1.347418 -3.001986 -1.655748
C -5.253200 0.793815 -0.146259
C -1.042944 -3.760609 0.648139
C -3.904782 2.339383 -1.474605
C -1.112417 -4.049472 -0.734138
C -5.170218 1.843480 -1.091916
H 4.356105 2.215471 -1.751264
H 4.162055 2.608681 -0.012921
H 4.724147 0.869762 1.714080
H 5.301424 -0.742513 1.183643
H 2.105458 1.477984 1.312124
H 1.935980 2.209697 -1.008196
H 2.403398 0.614967 -1.633153
H 3.008903 -1.296011 0.271875
H 2.892620 -0.784592 1.956807
H 5.826978 -1.136800 -1.184180
H 4.112436 -0.828691 -1.622253
H 5.420471 0.109060 -2.421051
H 6.731528 1.763836 -1.173809
H 6.382173 2.079803 0.563796
H 7.131173 0.520434 0.065851
H -2.178323 0.868185 2.433351
H -1.727552 -0.875764 -1.912548
H -4.140505 -0.580754 1.122581
H -1.155989 -2.204140 2.177051
H -1.756502 2.216258 -1.205633
H -1.426160 -3.221270 -2.726374
H -6.230388 0.400119 0.152788
H -0.881124 -4.570184 1.368582
H -3.834437 3.154445 -2.202966
H -1.004639 -5.080561 -1.088521
H -6.082093 2.268221 -1.524927


