%chk=000153126.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153126

0 1
 O    5.006900      0.2951000       1.163400    
 O  -2.8800000E-02  -2.016600      -1.908300    
 O    1.317600      -2.717900       1.114800    
 O    1.404800       1.045700      -1.861900    
 O   -7.071500       1.446000       1.160800    
 O   -6.638400      -1.295700       1.009500    
 N    9.688800       1.062600      0.1883000    
 C   -2.402600     -0.5532000      -1.299000    
 C   -1.258500     -0.7144000     -0.2954000    
 C   -3.650100     -2.2399999E-02 -0.6412000    
 C   3.6899999E-02  -1.246500     -0.9312000    
 C    1.329600     -0.8461000     -0.3870000    
 C    1.925500      -1.601800      0.6225000    
 C    1.969300      0.2930000     -0.8757000    
 C    3.792500     -8.1799999E-02  0.6514000    
 C   -4.574400     -0.9126000     -0.1146000    
 C   -3.855000       1.347800     -0.5729000    
 C    7.324100      0.6843000      0.6984000    
 C    5.888700      0.9798000      0.2844000    
 C    3.161300      -1.218300       1.143600    
 C    3.205200      0.6765000     -0.3548000    
 C   -5.729600     -0.4215000      0.4938000    
 C   -5.010200       1.838800      3.5500001E-02
 C   -5.947500      0.9541000      0.5688000    
 C    8.325300       1.379800     -0.2184000    
 C   -8.209900       1.645400      0.3251000    
 H   -2.622600      -1.513800      -1.782500    
 H   -2.094900      0.1161000      -2.113000    
 H   -1.040400      0.2507000      0.1778000    
 H   -1.540600      -1.415100      0.4998000    
 H   -4.407100      -1.985100     -0.1699000    
 H   -3.129900       2.044700     -0.9836000    
 H    7.471500      0.9991000       1.739600    
 H    7.484100     -0.4018000      0.6887000    
 H    5.765400      0.6463000     -0.7543000    
 H    5.694500       2.056800      0.3472000    
 H    3.634300      -1.800100       1.930500    
 H    3.661900       1.584100     -0.7387000    
 H   -5.172800       2.911700      9.1600001E-02
 H    8.179900       1.061400      -1.256100    
 H    8.184200       2.465300     -0.1845000    
 H    1.879100      -3.107200       1.807000    
 H   0.5595000      0.6614000      -2.144500    
 H    9.826100      5.2600000E-02  0.1684000    
 H    9.831600       1.344800       1.157500    
 H   -7.354800     -0.7868000       1.426500    
 H   -8.512300      0.7072000     -0.1509000    
 H   -7.995200       2.400600     -0.4377000    
 H   -9.034100       2.002600      0.9485000    


%chk=000153126-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153126

0 1
O 5.110816 0.398185 0.883987
O -0.120854 -0.098073 -2.822108
O 0.338545 0.410953 1.367045
O 2.328658 -0.091052 -3.062870
O -7.475113 -0.061338 1.436972
O -5.802128 -2.145819 1.546766
N 10.085660 0.416275 1.149880
C -2.624474 -0.075028 -1.684906
C -1.388211 0.107278 -0.772346
C -3.922155 -0.032468 -0.890009
C -0.071649 0.050416 -1.528370
C 1.239927 0.150569 -0.877994
C 1.463632 0.321628 0.531997
C 2.432576 0.068363 -1.708488
C 3.884610 0.310812 0.229139
C -4.274616 -1.113889 -0.037988
C -4.791236 1.081580 -0.969016
C 7.529175 0.408161 1.029452
C 6.344271 0.306406 0.068268
C 2.749848 0.400604 1.081045
C 3.734468 0.146738 -1.160960
C -5.459879 -1.074451 0.712439
C -5.992119 1.133115 -0.216654
C -6.323305 0.055479 0.623607
C 8.895831 0.322412 0.287366
C -8.438718 1.037775 1.398953
H -2.529155 -1.035107 -2.225487
H -2.622622 0.711508 -2.459947
H -1.446346 1.067325 -0.223673
H -1.373535 -0.653941 0.030502
H -3.638373 -2.001986 0.042978
H -4.535036 1.919463 -1.627280
H 7.469046 1.365176 1.582749
H 7.462853 -0.405693 1.776954
H 6.348775 -0.659819 -0.476659
H 6.352735 1.132397 -0.672147
H 2.910917 0.529663 2.156797
H 4.577345 0.075309 -1.850239
H -6.648934 2.004805 -0.299442
H 8.952857 -0.632001 -0.271861
H 8.956393 1.129701 -0.468637
H 0.617471 0.521436 2.310549
H 1.293358 -0.128764 -3.274747
H 10.201982 -0.366324 1.800265
H 10.203852 1.321633 1.613981
H -6.672408 -1.935562 1.979221
H -8.845771 1.172655 0.378316
H -7.975659 1.982726 1.742942
H -9.245906 0.746369 2.086959


