%chk=000072348.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072348

0 1
 O    5.134500      0.4922000       1.328000    
 O    7.411600      -1.722800     -0.3344000    
 O    9.329900     -0.8925000      0.5480000    
 N    6.283600      0.6063000     -0.6868000    
 C   -2.537300      0.2662000      0.3562000    
 C   -3.816900      7.8900002E-02 -0.4610000    
 C   -1.260600      0.2151000     -0.4888000    
 C   -5.057500      0.1184000      0.4340000    
 C   5.7300001E-02  0.3131000      0.2879000    
 C   -6.334700     -0.1055000     -0.3776000    
 C   -7.578800     -3.2000002E-02  0.5106000    
 C    1.293200      0.3123000     -0.6146000    
 C   -8.852300     -0.2894000     -0.2979000    
 C    2.613200      0.4017000      0.1605000    
 C   -10.13050     -0.1971000      0.5384000    
 C    3.866500      0.4875000     -0.7106000    
 C   -11.39340     -0.5216000     -0.2445000    
 C    5.146800      0.5285000      9.9399999E-02
 C    7.609600      0.6537000     -0.1187000    
 C    8.215600     -0.7129000      7.1999997E-02
 H   -2.483300     -0.5146000       1.125000    
 H   -2.577200       1.227000      0.8839000    
 H   -3.884300      0.8653000      -1.222300    
 H   -3.774900     -0.8810000     -0.9897000    
 H   -1.255500     -0.7203000      -1.062800    
 H   -1.298200       1.028300      -1.224800    
 H   -4.977400     -0.6523000       1.210200    
 H   -5.109900       1.087700      0.9445000    
 H   5.0000001E-02   1.231200      0.8881000    
 H   0.1207000     -0.5254000      0.9919000    
 H   -6.405100      0.6500000      -1.169600    
 H   -6.289400      -1.085400     -0.8684000    
 H   -7.502500     -0.7716000       1.316700    
 H   -7.637000      0.9564000      0.9821000    
 H    1.229700       1.158400      -1.309800    
 H    1.297900     -0.5992000      -1.224800    
 H   -8.793100      -1.285800     -0.7534000    
 H   -8.912800      0.4320000      -1.122300    
 H    2.579000       1.279600      0.8186000    
 H    2.691200     -0.4713000      0.8214000    
 H   -10.21930      0.8134000      0.9549000    
 H   -10.05820     -0.8858000       1.388600    
 H    3.913100     -0.3810000      -1.378100    
 H    3.824300       1.388100      -1.334200    
 H   -11.35580      -1.541300     -0.6407000    
 H   -12.27320     -0.4384000      0.4009000    
 H   -11.51940      0.1689000      -1.084500    
 H    6.192900      0.6110000      -1.698600    
 H    7.571400       1.156800      0.8521000    
 H    8.238200       1.219700     -0.8118000    
 H    7.828300      -2.600700     -0.2004000    


%chk=000072348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072348

0 1
O 5.238945 -0.600200 1.660235
O 8.140836 1.094686 -1.838791
O 9.751684 1.231167 -0.166168
N 6.243203 0.140370 -0.286933
C -2.518780 0.194904 0.251880
C -3.837628 -0.317308 -0.369512
C -1.255551 -0.407210 -0.403855
C -5.098518 0.295063 0.281314
C 0.059293 0.074508 0.249624
C -6.419630 -0.234770 -0.320279
C -7.679079 0.382744 0.328748
C 1.325461 -0.509398 -0.416878
C -9.001561 -0.154183 -0.263610
C 2.629228 -0.071221 0.284783
C -10.260007 0.465577 0.386216
C 3.896244 -0.629624 -0.406736
C -11.577085 -0.077629 -0.209124
C 5.161155 -0.365809 0.413573
C 7.507920 0.401931 0.398937
C 8.590561 0.942916 -0.514648
H -2.512685 -0.037170 1.337557
H -2.481105 1.301645 0.171607
H -3.842159 -0.095332 -1.457399
H -3.878972 -1.423133 -0.278462
H -1.306590 -1.514932 -0.347798
H -1.245724 -0.151212 -1.484262
H -5.084529 0.087375 1.371922
H -5.065219 1.399889 0.175991
H 0.103294 1.183163 0.212570
H 0.054484 -0.199558 1.325096
H -6.433210 -0.032050 -1.411840
H -6.454792 -1.339022 -0.209662
H -7.661368 0.186072 1.421396
H -7.647335 1.486543 0.212136
H 1.351168 -0.203998 -1.484321
H 1.263541 -1.618127 -0.411530
H -9.035586 -1.257716 -0.145350
H -9.021102 0.041090 -1.356476
H 2.683029 1.035829 0.315476
H 2.630442 -0.416337 1.335841
H -10.225522 1.567952 0.266717
H -10.238155 0.271330 1.478194
H 3.790639 -1.729014 -0.505546
H 3.992297 -0.220436 -1.431711
H -11.649699 -1.173668 -0.075334
H -12.460534 0.380780 0.272518
H -11.636964 0.131243 -1.294121
H 6.189252 0.344633 -1.286134
H 7.892979 -0.517242 0.882883
H 7.366694 1.122807 1.228626
H 8.876740 1.451886 -2.404561


