%chk=000059896.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059896

0 1
 O   -4.675300      -1.089500       1.362500    
 O    2.029400      0.6646000       1.697100    
 N    5.971300     -8.4200002E-02 -0.5699000    
 N   -3.972200      0.2335000     -0.4299000    
 N    2.401200      0.9775000     -0.5701000    
 C   -6.342400     -0.3827000     -0.2471000    
 C    4.523800     -0.2425000     -0.6271000    
 C    6.640600      -1.227600      -1.193600    
 C    6.419500      7.1599998E-02  0.8153000    
 C    3.838200       1.108800     -0.4878000    
 C   -7.312800      -1.189900      0.6295000    
 C   -6.799200       1.081900     -0.3349000    
 C   -6.356400     -0.9820000      -1.666200    
 C   -4.907600     -0.4618000      0.3307000    
 C    6.335500      -2.515900     -0.4483000    
 C    7.919300      0.3044000      0.8841000    
 C   -2.583100      0.3649000     -0.1873000    
 C   0.1527000      0.6259000      0.2919000    
 C    1.578800      0.7611000      0.5418000    
 C   -2.008700     -0.2473000      0.9267000    
 C   -1.789700       1.107800      -1.061600    
 C  -0.6408000     -0.1169000       1.166200    
 C  -0.4218000       1.238200     -0.8220000    
 H    4.218800     -0.6599000      -1.596700    
 H    4.143700     -0.9302000      0.1396000    
 H    6.298800      -1.324400      -2.232400    
 H    7.721800      -1.076000      -1.278600    
 H    6.126100     -0.7517000       1.476300    
 H    5.959400      0.9690000       1.244400    
 H    4.074500       1.596500      0.4625000    
 H    4.142900       1.782100      -1.296900    
 H   -8.332900      -1.156100      0.2310000    
 H   -7.341500     -0.7949000       1.651500    
 H   -7.012200      -2.242200      0.6919000    
 H   -7.844100       1.149500     -0.6588000    
 H   -6.201800       1.667600      -1.041300    
 H   -6.719500       1.571500      0.6425000    
 H   -7.376800      -1.030900      -2.063500    
 H   -5.947900      -1.999300      -1.663800    
 H   -5.761600     -0.3957000      -2.374500    
 H   -4.297300      0.7137000      -1.264400    
 H    2.004200      0.9814000      -1.503500    
 H    6.772400      -2.551700      0.5534000    
 H    5.267700      -2.741700     -0.3807000    
 H    6.785200      -3.350600     -0.9999000    
 H    8.495700     -0.6072000      0.7007000    
 H    8.242500       1.076500      0.1773000    
 H    8.190500      0.6499000       1.888200    
 H   -2.552400     -0.8391000       1.648900    
 H   -2.226500       1.595700      -1.929300    
 H  -0.2105000     -0.6052000       2.036900    
 H   0.1526000       1.851000      -1.510400    


%chk=000059896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059896

0 1
O -4.821411 -0.328487 1.631830
O 2.126494 1.025553 1.317056
N 6.075668 -0.314684 -0.398898
N -4.060681 0.166502 -0.526531
N 2.451321 0.710057 -0.962345
C -6.513708 -0.223523 -0.145836
C 4.623182 -0.513622 -0.605048
C 6.932693 -1.365648 -1.000951
C 6.413189 0.059032 1.000000
C 3.913640 0.843295 -0.865620
C -7.060423 -1.627621 0.241809
C -7.334455 0.872675 0.595142
C -6.641478 -0.021922 -1.677382
C -5.058870 -0.137004 0.401846
C 6.858195 -2.775135 -0.349499
C 7.805384 0.702889 1.137561
C -2.663166 0.320180 -0.315707
C 0.158546 0.649435 -0.061053
C 1.638978 0.811170 0.159545
C -2.040514 0.176683 0.955039
C -1.866245 0.644144 -1.448802
C -0.648556 0.348057 1.064698
C -0.475365 0.805722 -1.322201
H 4.473530 -1.172258 -1.482742
H 4.125618 -1.006957 0.261932
H 6.655182 -1.445660 -2.070000
H 7.980106 -1.011115 -0.981633
H 6.335247 -0.814062 1.695114
H 5.651250 0.783852 1.340442
H 4.123793 1.532898 -0.031310
H 4.309759 1.291329 -1.794140
H -8.133062 -1.699893 -0.016362
H -6.942590 -1.794612 1.325423
H -6.520801 -2.431579 -0.292543
H -8.403436 0.790871 0.325153
H -6.986327 1.887457 0.326397
H -7.233141 0.750316 1.686536
H -7.703283 -0.116178 -1.967600
H -6.085358 -0.790442 -2.249463
H -6.314408 0.986829 -1.998666
H -4.371632 0.297847 -1.491220
H 2.046267 0.410903 -1.849492
H 7.201090 -2.757318 0.700747
H 5.825392 -3.169783 -0.364207
H 7.501875 -3.485481 -0.901536
H 8.618826 -0.007492 0.902403
H 7.894927 1.567362 0.456064
H 7.960570 1.053729 2.174422
H -2.653725 -0.062464 1.824928
H -2.341100 0.780784 -2.429181
H -0.153617 0.255908 2.036960
H 0.098727 1.094958 -2.210679


