%chk=000125640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125640

0 1
 O   -1.473900     -0.4562000      0.9928000    
 O   -3.519900     -0.7379000      -1.924500    
 O    3.110200      -1.403600      0.8798000    
 O    4.889400      -2.717600       1.460300    
 N   -3.949200      7.5300001E-02  0.1995000    
 N  -0.6573000       1.322000     -0.3141000    
 N   -5.392200      -2.477900      -1.961000    
 C   -2.988000       1.169500      0.1562000    
 C   -3.370300       2.067300       1.327300    
 C   -3.989800       1.097400       2.330500    
 C   -4.711400      9.2500001E-02   1.445400    
 C   -1.626400      0.5690000      0.3365000    
 C   -4.185400     -0.7518000     -0.8876000    
 C   -5.333700      -1.716600     -0.7323000    
 C   0.7343000       1.071500     -0.3696000    
 C    1.250700     -3.4800000E-02  0.2758000    
 C    1.552600       1.939600      -1.070900    
 C    3.489400      0.5846000     -0.4878000    
 C    2.626200     -0.2635000      0.2075000    
 C    2.929700       1.697000      -1.130500    
 C    4.923700      0.2670000     -0.5072000    
 C    5.355700     -0.8238000      0.1412000    
 C    5.877900       1.159400      -1.245900    
 C    4.457700      -1.728500      0.8786000    
 H   -3.064700       1.685900     -0.8070000    
 H   -4.130500       2.790500       1.007600    
 H   -2.528000       2.620700       1.753200    
 H   -3.200600      0.5975000       2.904500    
 H   -4.661300       1.590100       3.039200    
 H   -5.729100      0.4255000       1.214700    
 H   -4.753800     -0.9056000       1.889800    
 H  -0.9618000       2.157700     -0.8088000    
 H   -6.265100      -1.162200     -0.5879000    
 H   -5.159700      -2.381200      0.1182000    
 H   0.6693000     -0.7503000      0.8380000    
 H    1.145500       2.809900      -1.578900    
 H   -6.166100      -3.139600      -1.914000    
 H   -4.548200      -3.041000      -2.061700    
 H    3.546300       2.396500      -1.688900    
 H    6.408700      -1.088800      0.1479000    
 H    6.911000      0.8011000      -1.174500    
 H    5.624700       1.203300      -2.310500    
 H    5.859500       2.174200     -0.8342000    


%chk=000125640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125640

0 1
O -1.098487 1.040819 2.396329
O -2.908919 0.664582 -1.758417
O 3.606491 0.237233 1.829420
O 5.694905 -0.123031 2.742267
N -3.808770 0.268814 0.342273
N -0.860011 1.004420 0.050697
N -4.563630 -1.062323 -3.031388
C -3.095948 1.425346 0.978176
C -3.864653 1.630144 2.299375
C -4.346739 0.203197 2.665630
C -4.718862 -0.422189 1.301171
C -1.582003 1.127662 1.228851
C -3.721776 0.013572 -1.000156
C -4.623244 -1.085553 -1.577453
C 0.521257 0.746266 -0.105864
C 1.416899 0.612048 0.981350
C 1.005636 0.624224 -1.447161
C 3.289857 0.236485 -0.616564
C 2.775461 0.360503 0.710378
C 2.359958 0.376036 -1.688046
C 4.713743 -0.021848 -0.796122
C 5.521249 -0.140586 0.320714
C 5.293323 -0.156285 -2.187382
C 5.034544 -0.021144 1.689849
H -3.165504 2.290338 0.291362
H -4.722321 2.306583 2.134303
H -3.207609 2.053735 3.073993
H -3.517484 -0.354960 3.132866
H -5.201589 0.205428 3.361349
H -5.775141 -0.215981 1.036673
H -4.561804 -1.515514 1.275838
H -1.442222 1.046195 -0.816603
H -5.657196 -0.921482 -1.199934
H -4.286644 -2.052738 -1.129658
H 1.070286 0.700197 2.011680
H 0.303913 0.727286 -2.282227
H -4.679026 -1.953369 -3.510371
H -3.830695 -0.449712 -3.399840
H 2.712320 0.287007 -2.720452
H 6.593202 -0.335087 0.226766
H 6.377370 -0.348836 -2.148229
H 4.816819 -0.987715 -2.740217
H 5.129142 0.764332 -2.778526


