%chk=000042467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042467

1 1
 O    3.407400      -1.644900      2.5200000E-02
 O    3.721700       1.112600      0.1461000    
 N   -2.631600     -0.2494000      5.9799999E-02
 C   -2.407900       1.114000     -0.5972000    
 C   -1.448800      -1.170400     -0.2833000    
 C   -1.119300       1.767600     -0.1048000    
 C  -8.6199999E-02 -0.5471000     -0.1405000    
 C   7.2899997E-02  0.8476000     -0.1031000    
 C   -3.915000     -0.8602000     -0.5076000    
 C   -2.804500     -0.1272000       1.573300    
 C    1.046300      -1.373200     -0.1069000    
 C    1.361400       1.391400      3.5000001E-03
 C    2.323100     -0.8213000     -1.0900000E-02
 C    2.480500      0.5605000      4.6399999E-02
 H   -3.278200       1.743000     -0.3776000    
 H   -2.362700      0.9415000      -1.680000    
 H   -1.577600      -1.473300      -1.330000    
 H   -1.545300      -2.056800      0.3549000    
 H   -1.261000       2.154600      0.9115000    
 H  -0.9104000       2.632400     -0.7468000    
 H   -4.044900      -1.855500     -7.2300002E-02
 H   -4.753400     -0.2099000     -0.2406000    
 H   -3.818000     -0.9293000      -1.595200    
 H   -1.867600      0.2101000       2.022300    
 H   -3.606200      0.5905000       1.770300    
 H   -3.068800      -1.112400       1.969700    
 H   0.9226000      -2.452900     -0.1570000    
 H    1.491700       2.470100      5.5000000E-02
 H    3.106400      -2.568400     -2.4499999E-02
 H    4.376300      0.3929000      0.1635000    


%chk=000042467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042467

1 1
O 3.478614 -1.584791 0.153455
O 3.726832 1.089254 0.248712
N -2.647483 -0.261481 0.036698
C -2.447470 1.121242 -0.629017
C -1.492806 -1.174043 -0.427579
C -1.153807 1.800771 -0.165175
C -0.130336 -0.547964 -0.192997
C 0.044281 0.858082 -0.137588
C -3.973657 -0.848853 -0.431835
C -2.658268 -0.144352 1.557966
C 0.993616 -1.411095 -0.092235
C 1.344929 1.393756 0.019695
C 2.279332 -0.867867 0.048123
C 2.462552 0.547384 0.105537
H -3.338490 1.727248 -0.392048
H -2.428287 0.924199 -1.715159
H -1.684656 -1.364039 -1.501582
H -1.601507 -2.130868 0.113390
H -1.298157 2.261598 0.831631
H -0.963372 2.642575 -0.856765
H -4.069445 -1.877296 -0.050362
H -4.798892 -0.231128 -0.045512
H -3.998640 -0.856429 -1.532318
H -1.654160 0.130617 1.908429
H -3.391063 0.621933 1.854011
H -2.943630 -1.118868 1.983373
H 0.859384 -2.499651 -0.130985
H 1.510094 2.474310 0.074853
H 3.368549 -2.564175 0.099525
H 4.408842 0.366530 0.288958


