%chk=000120874.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120874

0 1
 O    6.167600     -0.1552000      0.3455000    
 O    1.262600      0.6773000      -1.792900    
 N    3.582500      0.9193000     -0.1686000    
 C    1.154500      0.5603000     -0.3757000    
 C  -0.2250000       1.070500      8.4399998E-02
 C    2.269800       1.398400      0.2593000    
 C   -1.429800      0.2814000     -0.4988000    
 C    3.769000     -0.4909000      0.2004000    
 C    4.653100       1.738600      0.4162000    
 C    5.149800     -0.9647000     -0.2446000    
 C    6.012600       1.212400     -3.4899998E-02
 C   -1.420100      -1.199600     -0.1435000    
 C   -2.777700      0.9190000     -0.1689000    
 C   -1.986000      -2.099100      -1.022900    
 C   -3.819800      0.7600000      -1.055500    
 C  -0.8461000      -1.595100       1.046700    
 C   -2.904100       1.630800       1.003400    
 C   -1.977500      -3.455500     -0.6974000    
 C   -5.051000       1.342600     -0.7546000    
 C  -0.8375000      -2.951500       1.372200    
 C   -4.135100       2.213400       1.304600    
 C   -1.403200      -3.881600      0.5002000    
 C   -5.208500       2.069300      0.4255000    
 H    1.232200     -0.4939000     -0.1155000    
 H  -0.3243000       2.114800     -0.2466000    
 H  -0.2285000       1.096000       1.179000    
 H    2.156400       2.440900     -6.4700000E-02
 H    2.178600       1.376100       1.352900    
 H   -1.310700      0.3531000      -1.591000    
 H    3.062500      -1.157200     -0.2998000    
 H    3.666200     -0.6223000       1.285300    
 H    4.597700       1.711500       1.512300    
 H    4.552100       2.781900      9.6400000E-02
 H    5.314600      -1.996100      8.3700001E-02
 H    5.253200     -0.9439000      -1.336500    
 H    6.143900       1.308000      -1.119700    
 H    6.812000       1.784300      0.4470000    
 H    2.144700      0.3573000      -2.047600    
 H   -2.423200      -1.785600      -1.965100    
 H   -3.709000      0.2104000      -1.984400    
 H  -0.4213000     -0.9063000       1.766700    
 H   -2.106800       1.750100       1.726200    
 H   -2.415200      -4.180200      -1.377800    
 H   -5.886000       1.233100      -1.440400    
 H  -0.3960000      -3.283200       2.307400    
 H   -4.260200       2.775100       2.225800    
 H   -1.397200      -4.937600      0.7540000    
 H   -6.167200       2.522400      0.6603000    


%chk=000120874-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000120874

0 1
O 6.384221 0.081822 -0.480339
O 1.291917 0.567980 -1.438670
N 3.592308 0.753487 -0.039851
C 1.146442 0.382639 0.013015
C -0.208248 0.954528 0.452214
C 2.343969 1.086537 0.700738
C -1.401564 0.317482 -0.319588
C 4.121264 -0.603893 0.280136
C 4.664643 1.776439 0.101379
C 5.320638 -0.925831 -0.625129
C 5.850894 1.414771 -0.807339
C -1.493993 -1.194048 -0.046617
C -2.738318 1.026533 -0.062694
C -0.860507 -2.112084 -0.923896
C -3.816283 0.790932 -0.958009
C -2.172954 -1.701006 1.091422
C -2.961480 1.897120 1.033579
C -0.903122 -3.502245 -0.671000
C -5.072589 1.403227 -0.768706
C -2.214097 -3.089714 1.348712
C -4.220219 2.513800 1.229682
C -1.579661 -3.997095 0.467902
C -5.281499 2.270197 0.330643
H 1.170775 -0.704583 0.244639
H -0.208128 2.046341 0.264606
H -0.323344 0.792834 1.543646
H 2.199761 2.181649 0.632648
H 2.397063 0.808740 1.778953
H -1.156280 0.440872 -1.392099
H 3.325374 -1.352775 0.115932
H 4.436241 -0.661431 1.349566
H 5.021690 1.845709 1.156933
H 4.258299 2.762442 -0.191501
H 5.783332 -1.885755 -0.343363
H 4.987191 -0.970573 -1.684755
H 5.527232 1.438896 -1.870663
H 6.691020 2.113127 -0.660527
H 2.289600 0.646492 -1.560644
H -0.326286 -1.725048 -1.800606
H -3.663202 0.115672 -1.809161
H -2.688645 -1.006418 1.765339
H -2.153201 2.107234 1.742344
H -0.413166 -4.197348 -1.362903
H -5.887056 1.207853 -1.475755
H -2.747967 -3.465231 2.229583
H -4.369282 3.184676 2.083870
H -1.618338 -5.074872 0.663331
H -6.255843 2.748720 0.481002


