%chk=000059349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059349

0 1
 O    3.668000       1.783300     -0.1523000    
 O   -3.662800       1.767900     -0.2176000    
 N    8.240900      -1.304600      0.5398000    
 N   -8.249300      -1.282800      0.5470000    
 C  -1.5000000E-03   1.103500     -0.7398000    
 C    1.256500       1.778700     -0.1858000    
 C   -1.268400       1.786600     -0.2280000    
 C    2.534200       1.134200     -0.7094000    
 C   -2.524800       1.096000     -0.7394000    
 C    4.795900       1.022400      1.7600000E-02
 C   -4.792800       1.015200     -2.8700000E-02
 C    7.080900     -0.5218000      0.3642000    
 C   -7.086100     -0.5091000      0.3526000    
 C    5.675100       1.318600       1.052500    
 C   -5.682700       1.353300      0.9842000    
 C    5.046900     -3.7300002E-02 -0.8460000    
 C   -5.037600     -7.7000000E-02 -0.8529000    
 C    6.821800      0.5437000       1.226400    
 C   -6.833300      0.5884000       1.175600    
 C    6.193500     -0.8123000     -0.6719000    
 C   -6.188400     -0.8418000     -0.6616000    
 C    8.568000      -2.409600     -0.3074000    
 C   -8.569300      -2.420100     -0.2589000    
 C    9.882700      -3.028900      0.1263000    
 C   -9.867300      -3.046500      0.2136000    
 H   1.6000001E-02   1.136100      -1.835900    
 H  -6.6999998E-03  4.6700001E-02 -0.4468000    
 H    1.259100       2.844700     -0.4457000    
 H    1.253800       1.738500      0.9108000    
 H   -1.279300       1.791400      0.8692000    
 H   -1.281700       2.840600     -0.5326000    
 H    2.573900       1.221800      -1.801600    
 H    2.501200      7.1900003E-02 -0.4338000    
 H   -2.555000       1.134900      -1.834500    
 H   -2.487200      4.8700001E-02 -0.4123000    
 H    5.476400       2.147100       1.726200    
 H   -5.489300       2.207300       1.627100    
 H    4.397000     -0.2782000      -1.681700    
 H   -4.379300     -0.3518000      -1.671300    
 H    7.505400      0.7806000       2.037600    
 H   -7.524800      0.8582000       1.969700    
 H    6.359900      -1.628400      -1.368700    
 H   -6.350200      -1.683200      -1.328700    
 H    8.855100      -1.059100       1.308600    
 H   -8.875100      -1.001200       1.293700    
 H    8.668500      -2.083500      -1.349100    
 H    7.788500      -3.178800     -0.2589000    
 H   -7.778500      -3.176600     -0.1941000    
 H   -8.685800      -2.130100      -1.309500    
 H    10.69830      -2.299600      7.2999999E-02
 H    9.825800      -3.391800       1.158100    
 H    10.13840      -3.874700     -0.5194000    
 H   -9.790600      -3.372700       1.256500    
 H   -10.69610      -2.333400      0.1466000    
 H   -10.11670      -3.918200     -0.3993000    


%chk=000059349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059349

0 1
O 3.694986 1.133565 0.567141
O -3.693750 1.132728 0.572706
N 9.029871 -0.608522 -0.229430
N -9.029254 -0.615901 -0.204923
C 0.000448 0.267459 0.222500
C 1.283363 1.064462 0.550117
C -1.282149 1.064316 0.551722
C 2.554048 0.277212 0.219057
C -2.553153 0.276044 0.224350
C 4.989289 0.615158 0.335220
C -4.988218 0.612912 0.345019
C 7.696084 -0.223546 -0.049768
C -7.695281 -0.228802 -0.031225
C 6.062650 1.474967 0.679206
C -6.061371 1.473080 0.688752
C 5.270388 -0.662502 -0.199581
C -5.269633 -0.666475 -0.185447
C 7.390935 1.064398 0.490574
C -7.389795 1.060972 0.504537
C 6.610115 -1.077412 -0.389842
C -6.609504 -1.082775 -0.371638
C 9.440393 -1.902908 -0.772782
C -9.440066 -1.909093 -0.750921
C 10.973931 -2.001608 -0.841725
C -10.973774 -2.011443 -0.810177
H -0.000238 -0.007392 -0.853422
H 0.000881 -0.686386 0.790929
H 1.294432 2.014047 -0.018280
H 1.298938 1.332735 1.623799
H -1.295638 1.333995 1.625083
H -1.294805 2.013145 -0.017899
H 2.589612 0.021274 -0.862318
H 2.598362 -0.667405 0.803742
H -2.590575 0.017939 -0.856450
H -2.596133 -0.667421 0.810993
H 5.832297 2.461991 1.092746
H -5.830755 2.461491 1.098816
H 4.463746 -1.349195 -0.474413
H -4.463113 -1.353321 -0.460287
H 8.208921 1.744034 0.762361
H -8.207635 1.740651 0.776652
H 6.799775 -2.071857 -0.805471
H -6.799424 -2.078357 -0.784424
H 9.760319 0.050532 0.035028
H -9.759281 0.048755 0.046357
H 9.014013 -2.046995 -1.790242
H 9.043896 -2.729882 -0.142891
H -9.037759 -2.736527 -0.125683
H -9.019632 -2.049669 -1.771556
H 11.393073 -1.213276 -1.494314
H 11.423538 -1.898798 0.163462
H 11.279923 -2.979466 -1.251695
H -11.416814 -1.912587 0.198238
H -11.399387 -1.222363 -1.457770
H -11.279990 -2.988775 -1.221234


