%chk=000138506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138506

0 1
 O    3.255900      0.4431000     -0.4345000    
 O   -3.407800      0.8022000     -3.2000002E-02
 O    2.803700      -1.567400      0.5913000    
 O   -3.080100      -1.473600     -0.1410000    
 N  -0.7401000       1.286300      9.4700001E-02
 C  -0.1313000     -0.8475000      4.9000001E-03
 C    1.035100     -4.8000000E-02  9.2399999E-02
 C   0.6293000       1.267000      0.1471000    
 C   -1.214500      3.5999999E-03  8.3999997E-03
 C  -0.1760000      -2.322800     -7.6099999E-02
 C    1.402100       2.520700      0.2443000    
 C    2.403500     -0.4815000      0.1221000    
 C   -2.605900     -0.3173000     -6.1799999E-02
 C    4.651400      0.1245000     -0.4650000    
 C   -4.825200      0.6108000     -9.5100001E-02
 H   -1.314000       2.118500      0.1164000    
 H  -0.4761000      -2.749000      0.8867000    
 H  -0.8882000      -2.654800     -0.8384000    
 H   0.7900000      -2.755000     -0.3510000    
 H    1.882100       2.754300     -0.7114000    
 H   0.7608000       3.368700      0.5083000    
 H    2.175000       2.447600       1.016300    
 H    5.180800      0.9571000     -0.9354000    
 H    4.817600     -0.7802000      -1.057000    
 H    5.029500     -4.9999999E-03  0.5532000    
 H   -5.096200      0.1176000      -1.033000    
 H   -5.304000       1.592800     -6.0699999E-02
 H   -5.163300      2.2100000E-02  0.7626000    


%chk=000138506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138506

0 1
O 3.357707 0.540058 -0.061416
O -3.410783 0.853886 0.014987
O 2.799786 -1.724660 -0.127163
O -3.225913 -1.485477 -0.051772
N -0.778977 1.266676 -0.002326
C -0.118642 -0.912849 -0.069873
C 1.041842 -0.046377 -0.057901
C 0.593930 1.307622 -0.015294
C -1.244066 -0.063617 -0.034668
C -0.134570 -2.415298 -0.111594
C 1.337739 2.610373 0.013908
C 2.426099 -0.523209 -0.086041
C -2.668858 -0.359257 -0.026910
C 4.777096 0.120937 -0.088932
C -4.879462 0.688836 0.028449
H -1.413488 2.065281 0.026813
H 0.418554 -2.835828 0.747282
H -1.168439 -2.792648 -0.105136
H 0.389111 -2.786453 -1.010790
H 1.988840 2.712171 -0.871060
H 0.639734 3.466213 0.043613
H 2.004310 2.663520 0.891631
H 5.348496 1.059700 -0.052352
H 4.995494 -0.440645 -1.013113
H 5.007679 -0.518694 0.779815
H -5.214514 0.155880 -0.877430
H -5.281244 1.711952 0.055659
H -5.193363 0.116707 0.917912


