%chk=000100056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100056

0 1
 O   -1.840200       2.744800     -0.1149000    
 O    7.744400      0.7016000     -8.6900003E-02
 O    6.068900       1.677800      -1.266100    
 O    3.481100      0.6626000       2.602400    
 O    5.066600      -3.957900      -2.008200    
 O    5.657600      -4.132400      0.1753000    
 N    4.179600      0.7286000      0.3917000    
 N   -4.473800       1.073400     -0.2429000    
 N   -4.340400     -0.9570000      -2.118200    
 N   -5.216500      -2.452700     -0.5830000    
 N   -5.787300      -1.748300       1.637000    
 N   -5.452300      0.5030000       2.270500    
 N   -6.104400      -3.970700      0.9712000    
 C    5.516200      0.2414000      0.6215000    
 C    5.606900      -1.288400      0.5648000    
 C    5.248300      -1.929700     -0.7818000    
 C    6.434900      0.9449000     -0.3563000    
 C    3.260600      0.9007000       1.417700    
 C    1.916100       1.385900       1.013000    
 C   -3.552600       2.700300      -1.817100    
 C   -2.075300       2.921100      -1.511200    
 C  -0.6087000       2.298000      0.2542000    
 C    5.341500      -3.440200     -0.7822000    
 C   -4.005400       1.300400      -1.480000    
 C   0.7995000       1.073100       1.788200    
 C    1.770300       2.155000     -0.1416000    
 C  -0.4629000       1.529100       1.408900    
 C   0.5079000       2.610900     -0.5210000    
 C   -4.874000     -0.1802000      4.3499999E-02
 C   -3.939800      0.2963000      -2.406500    
 C   -4.812400      -1.214700     -0.8926000    
 C   -5.371700     -0.5175000       1.287700    
 C   -5.683000      -2.659100      0.6629000    
 H    5.816000      0.5720000       1.624300    
 H    4.951500      -1.711700       1.337600    
 H    6.626000      -1.596000      0.8336000    
 H    4.221300      -1.663700      -1.055100    
 H    5.926600      -1.556400      -1.557000    
 H    3.900600      0.8686000     -0.5738000    
 H   -4.155500       3.401700      -1.226600    
 H   -3.756900       2.914600      -2.872600    
 H   -1.796700       3.944000      -1.789700    
 H   -1.493100       2.211600      -2.114300    
 H   0.8917000      0.4713000       2.688500    
 H    2.618100       2.452200     -0.7518000    
 H   -1.329800       1.281100       2.015300    
 H   0.4426000       3.236300      -1.406500    
 H   -3.565100      0.4493000      -3.411300    
 H    8.338800       1.170500     -0.7106000    
 H    5.143300      -4.935800      -2.017400    
 H   -4.797400       1.273400       2.215100    
 H   -5.810200      0.2386000       3.179900    
 H   -6.461900      -4.173800       1.894300    
 H   -6.043200      -4.691300      0.2652000    


%chk=000100056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100056

0 1
O -1.731264 1.994201 0.001310
O 8.319412 1.131763 -0.386102
O 6.507706 1.623725 -1.752270
O 4.071936 0.456988 2.326640
O 6.127872 -4.039038 -1.486526
O 6.828572 -3.817064 0.716338
N 4.719065 0.805686 0.133641
N -5.118344 1.109600 0.034597
N -5.051032 -0.784653 -2.128027
N -6.389998 -2.281843 -0.850958
N -7.148062 -1.631786 1.417513
N -6.541638 0.453866 2.333904
N -7.711015 -3.683781 0.464964
C 6.129554 0.557017 0.447111
C 6.465488 -0.952639 0.656184
C 6.145053 -1.813513 -0.577495
C 6.960595 1.163661 -0.677271
C 3.757064 0.777266 1.132554
C 2.348906 1.125681 0.745150
C -3.697344 2.694319 -1.220388
C -2.170012 2.544492 -1.292457
C -0.368162 1.733720 0.177396
C 6.412251 -3.285748 -0.335161
C -4.434431 1.375180 -1.105560
C 1.332472 0.893617 1.712790
C 1.976699 1.678100 -0.506132
C -0.009783 1.188525 1.437426
C 0.630773 1.984394 -0.798016
C -5.759868 -0.099469 0.106160
C -4.426843 0.409995 -2.172378
C -5.741967 -1.076449 -0.955078
C -6.507297 -0.447690 1.310280
C -7.051861 -2.488365 0.324363
H 6.381927 1.069299 1.396099
H 5.878853 -1.295308 1.524724
H 7.532657 -1.041158 0.923769
H 5.082243 -1.704423 -0.867614
H 6.733703 -1.509867 -1.465602
H 4.508356 1.099653 -0.823032
H -3.958613 3.316399 -0.347505
H -4.021236 3.235558 -2.131694
H -1.694240 3.532450 -1.459134
H -1.867916 1.859486 -2.111046
H 1.633259 0.478934 2.680084
H 2.725066 1.902896 -1.275543
H -0.798655 1.006624 2.173083
H 0.378758 2.415168 -1.771121
H -3.892826 0.634481 -3.105041
H 8.836618 1.524515 -1.140667
H 6.304337 -5.000963 -1.298731
H -6.032828 1.330560 2.214980
H -7.047994 0.234165 3.188326
H -8.213084 -3.877459 1.327017
H -7.676484 -4.354166 -0.298755


