%chk=000174452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174452

0 1
 O    2.649400      -1.221300      0.5919000    
 O    3.182600       1.357700     -0.3048000    
 N  -0.8250000     -0.2185000     -0.2742000    
 C   -2.038600     -0.9734000     -0.5853000    
 C   -1.176300      0.6051000      0.8823000    
 C   -3.137400      6.7400001E-02 -0.4294000    
 C   -2.569500       1.106700      0.5322000    
 C   0.3161000      -1.083500     -1.4200000E-02
 C    1.580800     -0.3064000      0.3462000    
 C    2.017700      0.6661000     -0.7446000    
 H   -2.202700      -1.792900      0.1262000    
 H   -2.018000      -1.389300      -1.597500    
 H  -0.4941000       1.447700       1.031600    
 H   -1.216800      1.5100000E-02   1.807000    
 H   -4.060700     -0.3782000     -4.5600001E-02
 H   -3.366700      0.5393000      -1.392100    
 H   -2.519200       2.082500      3.5000000E-02
 H   -3.193000       1.216400       1.425200    
 H   0.5230000      -1.694600     -0.9029000    
 H   9.7499996E-02  -1.801200      0.7887000    
 H    1.452300      0.2444000       1.285100    
 H    1.250400       1.412900     -0.9653000    
 H    2.275300      0.1393000      -1.669400    
 H    2.369800      -1.813100       1.311200    
 H    3.861600      0.6896000     -0.1092000    


%chk=000174452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174452

0 1
O 2.764426 -1.203254 0.573022
O 3.297878 1.263073 -0.620542
N -0.828558 -0.203900 -0.136607
C -2.035390 -0.909319 -0.639057
C -1.282181 0.626153 1.015618
C -3.111213 0.194031 -0.600938
C -2.756711 1.013090 0.681759
C 0.328341 -1.073008 0.129758
C 1.628990 -0.273964 0.346046
C 2.050524 0.540866 -0.881063
H -2.330468 -1.764230 0.023782
H -1.855285 -1.310436 -1.652424
H -0.631616 1.510563 1.138676
H -1.240244 0.042313 1.970651
H -4.134583 -0.218485 -0.572506
H -3.019486 0.830011 -1.498227
H -2.865592 2.096307 0.505133
H -3.422655 0.746751 1.521320
H 0.478685 -1.743764 -0.737625
H 0.156853 -1.728734 1.029217
H 1.537162 0.408275 1.217390
H 1.287450 1.297993 -1.114342
H 2.158360 -0.146740 -1.747579
H 2.647284 -1.667901 1.438711
H 3.936528 0.592107 -0.262072


