%chk=000042033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042033

0 1
 O    2.501700      -1.026600      0.2075000    
 O    1.632800       2.833800     -0.7778000    
 O    3.102600       1.636700      0.4765000    
 O   -3.030800       1.930700     -8.1900001E-02
 O   -3.713100     -0.1480000      9.8099999E-02
 N   -2.794200      0.7034000      2.7300000E-02
 C   0.1671000      -1.527800      0.2410000    
 C   0.4536000      -2.987500      0.3720000    
 C    1.206200     -0.6007000      0.1636000    
 C   -1.158300      -1.095400      0.1950000    
 C   0.9201000      0.7589000      4.0199999E-02
 C   -1.444400      0.2642000      7.1699999E-02
 C  -0.4053000       1.191400     -5.5999998E-03
 C   0.5729000      -3.677800     -0.9834000    
 C    1.989000       1.744800     -4.4199999E-02
 H    1.370100      -3.152000      0.9514000    
 H  -0.3422000      -3.471600      0.9525000    
 H   -1.952800      -1.836000      0.2547000    
 H  -0.6235000       2.253700     -8.6599998E-02
 H  -0.3520000      -3.578700      -1.561800    
 H   0.7756000      -4.744800     -0.8472000    
 H    1.388200      -3.249900      -1.576200    
 H    3.114600     -0.2855000      8.1100002E-02
 H    2.358100       3.492200     -0.8297000    


%chk=000042033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042033

0 1
O 2.443526 -1.095287 0.127971
O 1.669501 3.037442 -0.370802
O 3.229244 1.336468 -0.192019
O -3.120017 2.028691 -0.092815
O -3.824776 -0.122208 0.203919
N -2.894839 0.765214 0.060480
C 0.094152 -1.562545 0.258437
C 0.408278 -3.038416 0.409947
C 1.157662 -0.616078 0.103482
C -1.223048 -1.080522 0.242992
C 0.873906 0.787134 -0.064090
C -1.492607 0.303629 0.072324
C -0.464916 1.242890 -0.080233
C 0.743572 -3.713966 -0.947743
C 2.007012 1.709045 -0.209744
H 1.273274 -3.161035 1.086827
H -0.455509 -3.548744 0.873943
H -2.067265 -1.766083 0.363743
H -0.694353 2.303288 -0.207001
H -0.102337 -3.631934 -1.653832
H 0.963048 -4.786115 -0.797309
H 1.630047 -3.245334 -1.408491
H 3.089158 -0.306138 0.018820
H 2.493288 3.588102 -0.460605


