%chk=000170240.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170240

0 1
 O    1.953400       2.466700      0.7806000    
 O   -1.027300      0.7953000      -2.298800    
 O   -2.765600     -0.7443000     -0.1854000    
 O    2.848500     -0.3060000     -0.3581000    
 O   -3.709000      -2.221900       1.320200    
 O    3.402000      -2.513200     -0.7610000    
 N   -1.315700       1.737600     -0.1686000    
 N   0.7513000       1.552600     -0.9930000    
 C  -0.4787000       2.298200      0.8886000    
 C   0.9027000       2.129600      0.2485000    
 C  -0.5775000       1.300400      -1.277300    
 C  -0.7537000       3.780400       1.129400    
 C  -0.5462000       1.487100       2.180200    
 C   -2.761700       1.652400     -6.6100001E-02
 C    1.849000       1.247600      -1.889600    
 C   -3.198300      0.3598000      0.5988000    
 C    2.359100     -0.1673000      -1.685600    
 C   -3.090900      -1.979000      0.2958000    
 C    3.341800      -1.535700     -3.2000002E-02
 C   -2.560700      -2.989200     -0.6431000    
 C    3.796500      -1.487300       1.373100    
 C   -2.744000      -4.290000     -0.3998000    
 C    4.325000      -2.574000       1.943000    
 H   -1.745900       3.943400       1.562600    
 H  -1.6700000E-02   4.211500       1.816500    
 H  -0.7015000       4.351200      0.1949000    
 H   -1.502400       1.627500       2.693600    
 H  -0.4055000      0.4165000       1.991800    
 H   0.2412000       1.797000       2.877200    
 H   -3.164900       1.681800      -1.085100    
 H   -3.145600       2.520700      0.4754000    
 H    1.505000       1.370300      -2.922000    
 H    2.655800       1.963000      -1.695700    
 H   -2.811600      0.2622000       1.615100    
 H   -4.293700      0.3464000      0.6512000    
 H    1.550700     -0.8896000      -1.851800    
 H    3.169400     -0.3682000      -2.395800    
 H   -2.023300      -2.659400      -1.525200    
 H    3.693700     -0.5624000       1.929700    
 H   -2.353700      -5.031200      -1.089300    
 H   -3.276300      -4.650500      0.4736000    
 H    4.658100      -2.538000       2.974900    
 H    4.440300      -3.512900       1.412700    


%chk=000170240-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170240

0 1
O 1.994098 2.954827 0.500727
O -0.983865 0.374929 -2.070446
O -2.051841 -1.120229 0.733556
O 2.988204 -0.479653 -0.613233
O -3.840850 -1.964659 -0.517728
O 1.540046 -2.213153 0.021247
N -1.269022 1.564288 -0.021516
N 0.783495 1.553260 -0.983162
C -0.426535 2.409490 0.870917
C 0.946331 2.362471 0.142080
C -0.566641 1.076521 -1.113599
C -0.929017 3.873530 0.926018
C -0.252978 1.826451 2.296467
C -2.675364 1.211759 0.187952
C 1.828945 1.216650 -1.952546
C -2.896043 0.020784 1.147411
C 2.246752 -0.259398 -1.882059
C -2.639287 -2.040278 -0.164044
C 2.523626 -1.472375 0.262073
C -1.635191 -3.055399 -0.563657
C 3.375451 -1.491951 1.479346
C -1.992137 -4.111397 -1.340294
C 3.150940 -2.381904 2.480576
H -1.885895 3.937361 1.474787
H -0.183540 4.494361 1.451559
H -1.074470 4.282538 -0.088742
H -1.174301 1.961505 2.890425
H -0.002926 0.752281 2.258102
H 0.566804 2.364096 2.803501
H -3.093887 0.949665 -0.799954
H -3.228134 2.089575 0.573754
H 1.457385 1.422114 -2.973417
H 2.690760 1.871906 -1.738296
H -2.580148 0.243098 2.177314
H -3.961777 -0.272377 1.125526
H 1.377015 -0.935670 -1.931877
H 2.951703 -0.488378 -2.699846
H -0.608775 -2.894908 -0.219261
H 4.181060 -0.752087 1.518223
H -1.257297 -4.861915 -1.649717
H -3.027337 -4.231740 -1.681376
H 3.774933 -2.398841 3.380037
H 2.332808 -3.108049 2.407272


