%chk=000070928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070928

0 1
 O    5.750100     -0.4115000       1.297000    
 N    4.539200     -0.4213000     -0.6674000    
 C   -2.168700     -0.7632000      0.2796000    
 C  -0.8251000     -0.6181000     -0.4409000    
 C   -3.323400     -5.7599999E-02 -0.4371000    
 C   -4.650300     -0.2970000      0.2885000    
 C   0.3139000      -1.384300      0.2357000    
 C   -5.840700      0.4044000     -0.3719000    
 C    1.637000      -1.179200     -0.5069000    
 C   -7.153600      0.2262000      0.3939000    
 C    2.783300      -1.921300      0.1867000    
 C   -8.290200       1.005400     -0.2690000    
 C    4.105700      -1.786900     -0.5612000    
 C   -9.589700      0.8641000      0.5076000    
 C    5.347100      0.1744000      0.2930000    
 C    5.702500       1.608400      2.2200000E-02
 C    4.780100       2.511900     -0.7383000    
 C    6.882700       2.045600      0.4885000    
 H   -2.404800      -1.830400      0.3759000    
 H   -2.075500     -0.3667000       1.298100    
 H  -0.5657000      0.4463000     -0.4978000    
 H  -0.9317000     -0.9733000      -1.473400    
 H   -3.399400     -0.4262000      -1.467000    
 H   -3.118600       1.018200     -0.4914000    
 H   -4.560100      5.3300001E-02   1.324400    
 H   -4.851500      -1.374400      0.3353000    
 H   6.9100000E-02  -2.452700      0.2686000    
 H   0.4169000      -1.043000       1.272900    
 H   -5.960700      2.4300000E-02  -1.393900    
 H   -5.617200       1.475300     -0.4570000    
 H    1.860100     -0.1068000     -0.5558000    
 H    1.537600      -1.537600      -1.538700    
 H   -7.024100      0.5738000       1.426000    
 H   -7.409800     -0.8390000      0.4408000    
 H    2.532700      -2.985800      0.2677000    
 H    2.896700      -1.539000       1.208600    
 H   -8.026500       2.067400     -0.3341000    
 H   -8.440500      0.6449000      -1.293200    
 H    4.007800      -2.177300      -1.579900    
 H    4.877700      -2.374800     -5.2800000E-02
 H   -9.899400     -0.1843000      0.5663000    
 H   -9.481500       1.248300       1.526900    
 H   -10.38860       1.427400      1.5300000E-02
 H    4.241700      0.1050000      -1.482700    
 H    4.770100       2.249400      -1.800800    
 H    3.760300       2.431400     -0.3477000    
 H    5.077700       3.563100     -0.6581000    
 H    7.203100       3.070100      0.3270000    
 H    7.564800       1.402500       1.034800    


%chk=000070928-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070928

0 1
O 5.946767 -0.533241 1.218171
N 4.649309 -0.357400 -0.700354
C -2.233073 -0.818603 0.275618
C -0.890636 -0.604336 -0.459366
C -3.416099 -0.067276 -0.375504
C -4.759387 -0.288124 0.355927
C 0.292327 -1.348838 0.199569
C -5.942444 0.465275 -0.293139
C 1.633961 -1.149247 -0.541209
C -7.286596 0.241468 0.435854
C 2.812979 -1.878393 0.139902
C -8.469650 0.995094 -0.214012
C 4.158898 -1.744028 -0.612691
C -9.808294 0.765604 0.520644
C 5.519939 0.168899 0.245565
C 5.927749 1.614737 0.033503
C 5.395583 2.387451 -1.162749
C 6.772967 2.165606 0.944874
H -2.462669 -1.904336 0.308653
H -2.128605 -0.491762 1.331427
H -0.664239 0.482048 -0.497836
H -0.993131 -0.937972 -1.513486
H -3.517734 -0.390261 -1.432973
H -3.189072 1.019243 -0.403527
H -4.657573 0.032694 1.413921
H -4.987522 -1.374391 0.382216
H 0.060870 -2.433457 0.249139
H 0.401633 -1.007130 1.249829
H -6.042776 0.146329 -1.351977
H -5.715674 1.551978 -0.316889
H 1.854462 -0.062769 -0.599191
H 1.530341 -1.508830 -1.587599
H -7.188260 0.560817 1.494710
H -7.515123 -0.844830 0.459967
H 2.577812 -2.959374 0.224371
H 2.947418 -1.500697 1.171718
H -8.240786 2.080331 -0.237417
H -8.567195 0.675776 -1.271890
H 4.061014 -2.145260 -1.640334
H 4.935190 -2.322715 -0.082576
H -10.075674 -0.308068 0.530704
H -9.745798 1.104212 1.572231
H -10.636825 1.315593 0.037323
H 4.299461 0.237561 -1.450860
H 5.694437 1.917667 -2.120673
H 4.289425 2.458650 -1.149275
H 5.788202 3.417848 -1.166094
H 7.116653 3.202635 0.862051
H 7.128041 1.563221 1.788036


