%chk=000145113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145113

0 1
 O    1.227200       1.277100     -0.6046000    
 O    6.611400      -1.916100     -4.1700002E-02
 O    7.112300     -0.1150000       1.109000    
 N    6.308400     -0.7902000      0.4220000    
 C   -4.796600     -0.3686000     -0.1293000    
 C   -3.622900      0.5990000      3.6100000E-02
 C   -6.139300      0.2196000      0.3153000    
 C   -2.314800     -2.8300000E-02 -0.4523000    
 C   -7.356500     -0.6959000      0.1526000    
 C   -1.144400      0.9499000     -0.3144000    
 C   -8.673900     -3.5399999E-02  0.5596000    
 C   0.1746000      0.3382000     -0.7703000    
 C   -9.858700     -0.9517000      0.2941000    
 C    2.475700      0.7697000     -0.3529000    
 C    2.835400     -0.4799000     -0.8577000    
 C    3.385900       1.502400      0.4089000    
 C    4.105200     -0.9966000     -0.6009000    
 C    4.655700      0.9856000      0.6657000    
 C    5.015500     -0.2638000      0.1608000    
 H   -4.599600      -1.281400      0.4462000    
 H   -4.873400     -0.6687000      -1.181700    
 H   -3.526900      0.8824000       1.091100    
 H   -3.824100       1.517000     -0.5292000    
 H   -6.062100      0.5157000       1.369200    
 H   -6.318600       1.142300     -0.2515000    
 H   -2.417500     -0.3282000      -1.502200    
 H   -2.105700     -0.9366000      0.1257000    
 H   -7.204200      -1.604600      0.7478000    
 H   -7.419900      -1.012300     -0.8961000    
 H   -1.341200       1.859400     -0.8956000    
 H   -1.048000       1.276900      0.7287000    
 H   -8.644700      0.2249000       1.623900    
 H   -8.810500      0.8974000      3.9999999E-04
 H   0.1090000      5.9300002E-02  -1.828500    
 H   0.3423000     -0.5654000     -0.1694000    
 H   -9.933400      -1.199100     -0.7696000    
 H   -9.766800      -1.884900      0.8589000    
 H   -10.79040     -0.4626000      0.5951000    
 H    2.167000      -1.069400      -1.478400    
 H    3.110400       2.476100      0.8048000    
 H    4.353300      -1.970500      -1.015300    
 H    5.338700       1.584400       1.263100    


%chk=000145113-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145113

0 1
O 1.254163 0.913849 0.315195
O 7.043161 -1.445717 -1.037216
O 7.578599 0.625074 -0.237832
N 6.718494 -0.291452 -0.547970
C -4.945356 -0.427459 -0.034566
C -3.714764 0.443161 0.303941
C -6.288157 0.279598 0.258459
C -2.370021 -0.252630 -0.006597
C -7.523545 -0.581390 -0.088331
C -1.152033 0.641604 0.322304
C -8.864745 0.132969 0.196673
C 0.171422 -0.044564 -0.016225
C -10.095152 -0.730532 -0.155775
C 2.570697 0.540747 0.075346
C 2.966414 -0.716336 -0.460507
C 3.549322 1.519316 0.405655
C 4.331607 -0.986077 -0.663459
C 4.908851 1.251299 0.203453
C 5.290685 -0.004281 -0.331979
H -4.896838 -1.375287 0.541307
H -4.909573 -0.712804 -1.106930
H -3.744683 0.720153 1.378213
H -3.772173 1.394670 -0.264481
H -6.327639 0.561404 1.331612
H -6.332738 1.229976 -0.313732
H -2.347323 -0.534882 -1.080065
H -2.307734 -1.199975 0.568460
H -7.485809 -1.529939 0.487425
H -7.483638 -0.867343 -1.160462
H -1.217151 1.589758 -0.244856
H -1.155744 0.907380 1.396554
H -8.905088 0.416909 1.268242
H -8.900098 1.081494 -0.377278
H 0.226820 -0.296822 -1.095048
H 0.310307 -0.970262 0.578847
H -10.096991 -0.998819 -1.229261
H -10.097384 -1.672824 0.424278
H -11.039809 -0.198617 0.060845
H 2.226466 -1.478665 -0.717292
H 3.212226 2.475288 0.816032
H 4.668668 -1.941845 -1.073383
H 5.680183 1.985973 0.447802


