%chk=000045378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045378

0 1
 O   0.6401000       1.396600     -4.8000000E-02
 N    4.313500       1.250600     -0.3134000    
 C  -0.3571000      0.6298000      0.6131000    
 C  -0.2601000     -0.8422000      0.2619000    
 C   7.0600003E-02  -1.753500       1.250600    
 C  -0.5049000      -1.245100      -1.040200    
 C   -1.728100       1.212000      0.3387000    
 C    1.941400      0.8758000      0.1895000    
 C   0.1594000      -3.107600      0.9278000    
 C  -0.4162000      -2.599300      -1.362900    
 C  -8.3999999E-02  -3.530500     -0.3788000    
 C    2.954700       1.740000     -0.5438000    
 C   0.3362000      -1.326200       2.657300    
 C  -0.8636000     -0.2676000      -2.111100    
 C   -2.826100      0.3705000      0.3170000    
 C   -1.851300       2.572000      0.1165000    
 C   1.1800000E-02  -4.978400     -0.7233000    
 C   -4.088900      0.9065000      6.4499997E-02
 C   -3.114100       3.108000     -0.1359000    
 C   -4.232900       2.275100     -0.1619000    
 C    4.616600       1.239000       1.117200    
 C    5.282800       2.074500      -1.034600    
 H  -0.2125000      0.8074000       1.683600    
 H    2.104300      0.9029000       1.269900    
 H    2.048600     -0.1504000     -0.1758000    
 H   0.4202000      -3.837500       1.690600    
 H  -0.6066000      -2.932100      -2.380500    
 H    2.720500       1.715600      -1.616100    
 H    2.840600       2.787200     -0.2322000    
 H  -0.5483000     -0.8520000       3.095400    
 H   0.5740000      -2.185400       3.295200    
 H    1.194900     -0.6517000       2.715200    
 H  -0.5732000     -0.6757000      -3.088400    
 H   -1.942700     -0.1035000      -2.163200    
 H  -0.3370000      0.6854000      -2.054800    
 H   -2.772700     -0.6920000      0.5292000    
 H  -0.9968000       3.241200      0.1441000    
 H  -0.6613000      -5.234500      -1.548700    
 H    1.036400      -5.227600      -1.016600    
 H  -0.2729000      -5.606400      0.1278000    
 H   -4.961600      0.2600000      5.3700000E-02
 H   -3.227100       4.174200     -0.3090000    
 H   -5.216400       2.693000     -0.3556000    
 H    4.098500      0.4279000       1.638300    
 H    4.385100       2.193100       1.604800    
 H    5.682700       1.036600       1.278900    
 H    6.295800       1.675300     -0.9120000    
 H    5.277900       3.115600     -0.6916000    
 H    5.072100       2.064700      -2.109900    


%chk=000045378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045378

0 1
O 0.682674 1.290538 -0.095232
N 4.411114 1.547411 -0.212875
C -0.369920 0.503501 0.593207
C -0.325811 -0.985143 0.224979
C -0.120764 -1.964830 1.244200
C -0.473388 -1.403969 -1.135094
C -1.713307 1.189713 0.319108
C 2.044436 0.907895 0.303562
C -0.061804 -3.335759 0.891757
C -0.396858 -2.783084 -1.442940
C -0.188954 -3.767918 -0.448466
C 2.986166 1.926063 -0.356924
C 0.028974 -1.593905 2.716091
C -0.726304 -0.416508 -2.263265
C -2.923811 0.500574 0.584259
C -1.771138 2.532331 -0.127724
C -0.081407 -5.238889 -0.811416
C -4.169864 1.141407 0.405500
C -3.018286 3.171175 -0.312980
C -4.222902 2.481034 -0.044937
C 4.913345 1.677378 1.170587
C 5.274802 2.259914 -1.176474
H -0.173209 0.598475 1.682902
H 2.121322 0.929167 1.413499
H 2.291011 -0.113020 -0.048985
H 0.090448 -4.081137 1.682919
H -0.506539 -3.095340 -2.489616
H 2.741359 1.948783 -1.434801
H 2.771570 2.946331 0.052047
H -0.839481 -1.025268 3.098647
H 0.122579 -2.504302 3.332342
H 0.929941 -0.977934 2.900836
H -0.590963 -0.902153 -3.245210
H -1.759026 -0.022142 -2.219371
H -0.053018 0.453566 -2.193030
H -2.890182 -0.544263 0.915145
H -0.835280 3.057571 -0.337401
H -0.675693 -5.478478 -1.710873
H 0.968096 -5.519587 -1.027560
H -0.430399 -5.886069 0.012686
H -5.097146 0.594701 0.612325
H -3.049135 4.208573 -0.666101
H -5.189265 2.977992 -0.187586
H 4.334714 1.032854 1.854201
H 4.864815 2.727606 1.559252
H 5.966509 1.346742 1.211130
H 6.309907 1.881715 -1.095531
H 5.301088 3.368862 -1.019073
H 4.921286 2.069131 -2.205218


