%chk=000116051.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116051

0 1
 O  -0.9311000      0.9757000     -0.3387000    
 O  -0.6342000      -1.245700     -0.8442000    
 N   -4.587300      0.5029000     -0.4319000    
 C    1.127400     -3.5100002E-02  0.4022000    
 C    2.200300      -1.029600     -0.1198000    
 C    1.700300       1.398600      0.2149000    
 C   0.7185000     -0.2983000       1.901900    
 C  -0.2242000     -0.1977000     -0.3582000    
 C   -3.245200      0.5467000      0.1289000    
 C   -2.230300      0.9282000     -0.9368000    
 C    2.192800      -1.425300      -1.457400    
 C    1.874900       2.230100       1.321100    
 C    3.171300      -1.527400      0.7493000    
 C    2.039100       1.853300      -1.059700    
 C   -5.594300      0.6513000      0.6218000    
 C   -4.802800     -0.7477000      -1.164000    
 C    3.156200      -2.318600      -1.925800    
 C    2.388500       3.516100       1.152900    
 C    4.134700      -2.420700      0.2808000    
 C    2.552700       3.139200      -1.227800    
 C   0.1501000      -1.643000       2.136200    
 C   -5.525200     -0.4980000       1.613000    
 C   -6.176600     -0.7747000      -1.812000    
 C    4.127200      -2.816300      -1.056600    
 C    2.727300       3.970500     -0.1217000    
 C  -0.3102000      -2.734500       2.331800    
 H    1.563300     -0.1711000       2.588600    
 H  -4.5800000E-02  0.4282000       2.213400    
 H   -2.949800     -0.3999000      0.5995000    
 H   -3.173100       1.304900      0.9209000    
 H   -2.228600      0.2620000      -1.805700    
 H   -2.441500       1.934900      -1.315900    
 H    1.468600      -1.047100      -2.172100    
 H    1.631100       1.940400       2.335900    
 H    3.227200      -1.226500       1.789600    
 H    1.891200       1.244800      -1.945100    
 H   -6.605700      0.7515000      0.2141000    
 H   -5.422700       1.595600       1.154900    
 H   -4.640500      -1.650500     -0.5646000    
 H   -4.082100     -0.8106000      -1.987400    
 H    3.154100      -2.623100      -2.968300    
 H    2.524300       4.164700       2.013500    
 H    4.894500      -2.803900      0.9557000    
 H    2.810700       3.495700      -2.220700    
 H   -5.826800      -1.458300       1.185800    
 H   -4.546700     -0.6100000       2.088000    
 H   -6.233400     -0.2979000       2.426400    
 H   -6.979600     -0.9498000      -1.089800    
 H   -6.223200      -1.595200      -2.537100    
 H   -6.385900      0.1520000      -2.357400    
 H    4.878800      -3.509900      -1.421900    
 H    3.125700       4.972300     -0.2529000    
 H  -0.7186000      -3.702700       2.503900    


%chk=000116051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116051

0 1
O -1.065389 0.974202 0.755807
O -0.509318 -0.060478 -1.249574
N -4.648597 0.138736 -0.122017
C 1.230094 0.221831 0.527231
C 2.040124 -0.972591 -0.030479
C 1.894812 1.576174 0.141069
C 1.121390 0.066055 2.088996
C -0.187596 0.313703 -0.098544
C -3.334457 -0.043248 0.533718
C -2.453894 1.189419 0.243856
C 1.423146 -2.180271 -0.441630
C 2.284927 2.549195 1.092606
C 3.457386 -0.907244 -0.016375
C 2.112240 1.846919 -1.236726
C -5.814526 -0.274155 0.696367
C -4.657997 -0.318322 -1.536724
C 2.204406 -3.286940 -0.841616
C 2.882773 3.762851 0.678521
C 4.239600 -2.014527 -0.409201
C 2.702053 3.058414 -1.650398
C 0.429610 -1.155287 2.528799
C -5.960950 -1.798198 0.961714
C -5.802909 0.292343 -2.365825
C 3.615129 -3.211676 -0.827423
C 3.092824 4.024287 -0.692706
C -0.157264 -2.160081 2.935168
H 2.149501 0.070025 2.499551
H 0.581930 0.936934 2.501211
H -2.801441 -0.959022 0.190246
H -3.472359 -0.140323 1.625707
H -2.405900 1.392965 -0.839403
H -2.814341 2.076374 0.785334
H 0.333311 -2.258793 -0.465735
H 2.133160 2.381135 2.162743
H 3.954187 0.019256 0.293556
H 1.814657 1.099938 -1.981210
H -6.731000 0.101241 0.204669
H -5.745105 0.257952 1.664522
H -4.695645 -1.433453 -1.612047
H -3.693246 -0.017388 -1.985804
H 1.708027 -4.209316 -1.163833
H 3.181802 4.501968 1.430371
H 5.332906 -1.940606 -0.392382
H 2.858172 3.248433 -2.718142
H -6.102374 -2.364890 0.023559
H -5.068691 -2.202585 1.474696
H -6.838838 -1.990333 1.606543
H -6.795631 -0.054324 -2.026092
H -5.697383 0.004748 -3.428112
H -5.779690 1.394204 -2.295157
H 4.218937 -4.071665 -1.138647
H 3.553609 4.965692 -1.012048
H -0.650773 -3.048780 3.282788


