%chk=000060012.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060012

0 1
 O   -2.041500     -0.1826000     -0.4266000    
 O   -1.052300      -2.201400     -7.1999999E-03
 O    4.918200      0.7153000     -0.1135000    
 N   -6.220300     -0.5931000      0.1207000    
 N   0.1967000     -0.2382000     -0.2655000    
 C   -3.317700     -0.8092000     -0.4040000    
 C   -3.877800     -0.7996000       1.016100    
 C   -4.251900     -6.7900002E-02  -1.355700    
 C   -5.323300      -1.299100       1.045800    
 C   -5.684600     -0.5924000      -1.247300    
 C   -6.546700      0.7526000      0.5870000    
 C   -7.912900       1.181700      5.4900002E-02
 C   -8.283900       2.580500      0.5489000    
 C  -0.9562000     -0.9973000     -0.2107000    
 C   -9.626800       3.029300     -5.1000002E-03
 C    1.532100     -0.6706000     -9.9699996E-02
 C    8.670500      0.8888000      0.1032000    
 C    7.230000       1.356900     -9.0899996E-02
 C    6.240700      0.2105000      6.4300001E-02
 C    9.653900       2.053200     -1.2100000E-02
 C    2.578700      0.2471000     -0.1897000    
 C    3.896500     -0.1798000     -2.6000001E-02
 C    1.803300      -2.015200      0.1538000    
 C    11.08640       1.597000      0.2141000    
 C    4.167700      -1.524400      0.2276000    
 C    3.121000      -2.442100      0.3175000    
 H   -3.247900      -1.845800     -0.7611000    
 H   -3.256000      -1.425200       1.667700    
 H   -3.815900      0.2136000       1.433800    
 H   -4.210800       1.010600      -1.160500    
 H   -3.891100     -0.1875000      -2.385000    
 H   -5.712700      -1.255400       2.070400    
 H   -5.331900      -2.364800      0.7813000    
 H   -5.708400      -1.625200      -1.619900    
 H   -6.331700     -3.1199999E-02  -1.930000    
 H   -6.619500      0.7594000       1.682900    
 H   -5.777700       1.489900      0.3316000    
 H   -8.679800      0.4660000      0.3778000    
 H   -7.919800       1.185700      -1.040900    
 H   -7.513700       3.299300      0.2456000    
 H   -8.324400       2.590600       1.644400    
 H   -10.42590       2.347800      0.3036000    
 H   -9.873000       4.030400      0.3628000    
 H   -9.608300       3.064700      -1.099000    
 H   7.2899997E-02  0.7548000     -0.4475000    
 H    8.774000      0.4197000       1.089400    
 H    8.914300      0.1248000     -0.6449000    
 H    6.985900       2.144900      0.6327000    
 H    7.108400       1.812400      -1.081700    
 H    9.404000       2.826600      0.7235000    
 H    9.573300       2.511300      -1.004700    
 H    6.352700     -0.2122000       1.070600    
 H    6.467400     -0.5433000     -0.7002000    
 H    2.375000       1.296900     -0.3871000    
 H    1.045900      -2.782100      0.2372000    
 H    11.20770       1.164700       1.212500    
 H    11.37960      0.8441000     -0.5245000    
 H    11.77270       2.445000      0.1256000    
 H    5.164900      -1.927000      0.3672000    
 H    3.332300      -3.489100      0.5154000    


%chk=000060012-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060012

0 1
O -1.970819 -0.349320 -0.446971
O -1.102855 -2.488805 0.053898
O 4.945500 0.438636 -0.098377
N -6.254618 -0.492737 0.118420
N 0.263486 -0.568115 -0.234509
C -3.363173 -0.903560 -0.398213
C -3.905242 -0.864496 1.039759
C -4.214835 -0.051251 -1.345438
C -5.405388 -1.297705 1.029091
C -5.703983 -0.515447 -1.258684
C -6.621992 0.853117 0.628545
C -7.919976 1.396687 -0.006426
C -8.335840 2.767476 0.576086
C -0.933288 -1.265192 -0.179641
C -9.626417 3.320569 -0.065901
C 1.580588 -1.073175 -0.054159
C 8.705102 1.068436 0.076217
C 7.189449 1.338832 -0.065487
C 6.361225 0.059500 0.068500
C 9.553325 2.357035 -0.021090
C 2.643342 -0.143940 -0.149309
C 3.979315 -0.573909 0.014781
C 1.850793 -2.444628 0.208787
C 11.068033 2.090824 0.112267
C 4.267977 -1.937574 0.273864
C 3.190855 -2.848250 0.366579
H -3.312009 -1.954050 -0.747087
H -3.317683 -1.540933 1.687198
H -3.810693 0.164073 1.438028
H -4.127492 1.014025 -1.057749
H -3.846117 -0.147150 -2.383622
H -5.822455 -1.242474 2.050592
H -5.468093 -2.357940 0.708140
H -5.778674 -1.554418 -1.639366
H -6.331440 0.111883 -1.914680
H -6.779773 0.757904 1.720884
H -5.808818 1.610452 0.494307
H -8.724912 0.653537 0.153562
H -7.796132 1.496498 -1.103977
H -7.510269 3.495113 0.434020
H -8.479898 2.671010 1.671903
H -10.473078 2.625000 0.085799
H -9.908606 4.297395 0.368157
H -9.498642 3.458864 -1.156201
H 0.166317 0.428894 -0.438461
H 8.907695 0.573674 1.049447
H 9.033022 0.356942 -0.710386
H 6.859984 2.060384 0.706677
H 6.978042 1.801188 -1.048801
H 9.229567 3.065385 0.768265
H 9.347677 2.855982 -0.989956
H 6.506809 -0.404692 1.066696
H 6.641916 -0.680633 -0.710294
H 2.459433 0.917814 -0.349030
H 1.028048 -3.156945 0.283485
H 11.305374 1.623532 1.086678
H 11.422905 1.407761 -0.682472
H 11.650204 3.027435 0.036735
H 5.294782 -2.290007 0.400436
H 3.404744 -3.904112 0.567385


