%chk=000064426.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064426

0 1
 O   -2.973300       2.003100      0.3887000    
 O   -6.779300      -2.355400      0.4198000    
 N   -2.364500     -0.2021000     -0.1544000    
 N   -6.413200      -1.158200      0.1858000    
 C    3.308500     -6.7199998E-02 -1.6300000E-02
 C    5.455200      -1.434300     -0.3218000    
 C    5.414600      0.9802000      -1.014800    
 C    5.371000      0.3656000       1.428900    
 C    3.917700      -1.462800     -0.3562000    
 C    3.876600      0.9453000      -1.054900    
 C    3.832700      0.3291000       1.395900    
 C    5.964700     -0.4135000      -1.348800    
 C    5.921100      -1.024800       1.082300    
 C    5.876100       1.384900      0.3947000    
 C    1.818300     -0.1027000     -5.2200001E-02
 C    1.156000      -1.290400     -0.3628000    
 C    1.086000       1.052000      0.2245000    
 C  -0.2381000      -1.323400     -0.3970000    
 C  -0.3081000       1.019100      0.1904000    
 C  -0.9702000     -0.1688000     -0.1202000    
 C   -3.258900      0.8478000      9.3000002E-02
 C   -4.699500      0.4913000      6.6000000E-03
 C   -5.079600     -0.8051000      0.2605000    
 C   -5.612400       1.463600     -0.3241000    
 C   -6.957300       1.119000     -0.4021000    
 C   -7.343900     -0.1923000     -0.1455000    
 H    5.848300      -2.428000     -0.5646000    
 H    5.784800       1.707000      -1.746500    
 H    5.710200      0.6568000       2.429400    
 H    3.614600      -1.791100      -1.360000    
 H    3.583900      -2.224000      0.3623000    
 H    3.499000       1.957800     -0.8637000    
 H    3.539700      0.6784000      -2.065800    
 H    3.464200     -0.3811000       2.148600    
 H    3.453200       1.314900       1.693600    
 H    5.653700     -0.7081000      -2.358600    
 H    7.061400     -0.3945000      -1.346700    
 H    7.017100      -1.016400       1.126300    
 H    5.578900      -1.759300       1.821700    
 H    5.500100       2.385900      0.6397000    
 H    6.971200       1.439700      0.4281000    
 H    1.651300      -2.226800     -0.5890000    
 H    1.577000       1.989700      0.4692000    
 H  -0.7418000      -2.255700     -0.6404000    
 H  -0.8029000       1.953100      0.4160000    
 H   -2.746800      -1.103000     -0.4279000    
 H   -4.438400      -1.620800      0.5580000    
 H   -5.316200       2.487300     -0.5313000    
 H   -7.700600       1.865900     -0.6625000    
 H   -8.366500     -0.5380000     -0.1858000    


%chk=000064426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064426

0 1
O -3.042721 2.113939 0.254072
O -6.949373 -2.416460 0.602650
N -2.436472 -0.123017 -0.153488
N -6.574005 -1.183476 0.268847
C 3.397607 -0.106307 -0.026072
C 5.560057 -1.446531 -0.348738
C 5.504547 0.998629 -0.996569
C 5.453289 0.330689 1.449799
C 4.009648 -1.491974 -0.392010
C 3.953520 0.948623 -1.043255
C 3.902138 0.279557 1.406716
C 6.079414 -0.394700 -1.364840
C 6.028047 -1.063049 1.079838
C 5.967310 1.386778 0.433885
C 1.859034 -0.117245 -0.060751
C 1.105310 -1.278675 -0.373446
C 1.125271 1.065895 0.226871
C -0.302684 -1.257531 -0.398055
C -0.282123 1.112821 0.205818
C -1.011654 -0.064010 -0.110185
C -3.355446 0.901169 0.047480
C -4.806500 0.478591 -0.022486
C -5.227743 -0.816972 0.325719
C -5.765239 1.449013 -0.411316
C -7.123180 1.066871 -0.466234
C -7.515703 -0.235371 -0.133835
H 5.956444 -2.446891 -0.613653
H 5.863925 1.754843 -1.722510
H 5.777619 0.608789 2.472308
H 3.678992 -1.794489 -1.406729
H 3.647041 -2.263361 0.317810
H 3.541628 1.950265 -0.810839
H 3.607669 0.687782 -2.063613
H 3.521954 -0.461181 2.138469
H 3.486152 1.263690 1.699293
H 5.773239 -0.674180 -2.393173
H 7.187465 -0.366469 -1.349351
H 7.135408 -1.042262 1.124691
H 5.684086 -1.822525 1.810632
H 5.579439 2.390931 0.699409
H 7.073743 1.442551 0.472198
H 1.613626 -2.219012 -0.602441
H 1.662965 1.988416 0.474618
H -0.852986 -2.176408 -0.641902
H -0.820001 2.037531 0.421211
H -2.820799 -1.032751 -0.420737
H -4.583932 -1.611926 0.707329
H -5.431863 2.462575 -0.645047
H -7.896173 1.779175 -0.768234
H -8.542396 -0.602651 -0.150056


