%chk=000081721.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081721

0 1
 O  -7.6000001E-03   1.576600      -1.071100    
 O    2.876100      -1.929000      0.2386000    
 O    4.581600     -0.7115000     -0.6115000    
 N    1.158900      5.5500001E-02  0.2390000    
 N   -1.426100      0.8734000       1.648200    
 C   -2.492600      0.3036000     -0.4953000    
 C   -3.798000     -0.2812000      8.5800000E-02
 C   -1.257700      0.1215000      0.4019000    
 C   -3.614500      -1.776000      0.3636000    
 C   -4.996900     -7.3299997E-02 -0.8408000    
 C   1.1500000E-02  0.6698000     -0.2406000    
 C    2.487700      0.4219000     -0.1944000    
 C    3.053700       1.523700      0.6888000    
 C    3.423800     -0.7750000     -0.2122000    
 H   -2.648100       1.371400     -0.7026000    
 H   -2.290900     -0.1595000      -1.470900    
 H   -4.036300      0.2198000       1.031300    
 H   -1.095100     -0.9379000      0.6239000    
 H   -4.567900      -2.234300      0.6498000    
 H   -2.924000      -1.953700       1.193200    
 H   -3.242300      -2.305800     -0.5198000    
 H   -5.152100      0.9930000      -1.035900    
 H   -4.845500     -0.5747000      -1.802700    
 H   -5.913600     -0.4688000     -0.3911000    
 H    2.415100      0.7801000      -1.228200    
 H    1.073600     -0.6653000      0.9501000    
 H  -0.6102000      0.7318000       2.243700    
 H   -2.215700      0.5014000       2.173300    
 H    4.049600       1.829100      0.3506000    
 H    2.406500       2.407200      0.6809000    
 H    3.145400       1.187700       1.728100    
 H    3.512300      -2.674800      0.2048000    


%chk=000081721-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081721

0 1
O 0.165900 2.261953 0.258458
O 2.389783 -1.942341 -0.571495
O 4.066606 -0.645648 -1.524903
N 0.974176 0.084964 0.301242
N -2.091890 1.429522 1.849816
C -2.266300 0.178583 -0.289660
C -3.624294 -0.494965 0.034443
C -1.394171 0.479306 0.963668
C -3.444043 -1.937636 0.563955
C -4.531372 -0.487750 -1.218440
C -0.021212 1.024374 0.488704
C 2.292007 0.468190 -0.226018
C 3.204565 1.111081 0.858373
C 3.015294 -0.714261 -0.858820
H -2.445687 1.140309 -0.812442
H -1.693143 -0.464236 -0.990015
H -4.101521 0.111438 0.828904
H -1.236729 -0.462605 1.525344
H -4.424742 -2.402258 0.776630
H -2.859433 -1.966279 1.502190
H -2.927359 -2.570851 -0.184712
H -4.703204 0.542232 -1.583144
H -4.073822 -1.067587 -2.044296
H -5.517243 -0.938019 -0.998003
H 2.137534 1.227650 -1.016841
H 0.799808 -0.907773 0.472340
H -1.665906 1.492473 2.782895
H -2.126796 2.363458 1.417042
H 4.170171 1.409694 0.416359
H 2.695865 2.005362 1.252447
H 3.389135 0.403852 1.685785
H 2.908722 -2.685531 -0.981305


