%chk=000115324.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115324

0 1
 O   -2.147300       2.723700      7.9999998E-04
 O   -3.386600      -2.631800     -9.9999997E-05
 O   -4.672200       1.932400      9.9999997E-05
 O   -5.332600     -0.7316000       0.000000    
 C    1.085700     -0.2658000     -1.9999999E-04
 C   0.1107000      0.7673000     -1.9999999E-04
 C    2.476300      3.8500000E-02 -9.9999997E-05
 C   0.6850000      -1.619400       0.000000    
 C   -1.285800      0.4233000     -1.9999999E-04
 C   -1.659600     -0.9435000     -1.9999999E-04
 C    2.909400       1.382000     -1.9999999E-04
 C    3.439500     -0.9998000      9.9999997E-05
 C  -0.6758000      -1.937700     -1.9999999E-04
 C   0.5914000       2.096800     -1.9999999E-04
 C    1.651000      -2.634800      3.0000001E-04
 C    1.955500       2.399100     -1.9999999E-04
 C    3.010700      -2.329900      3.0000001E-04
 C   -2.341100       1.371000       0.000000    
 C   -3.016000      -1.314000     -9.9999997E-05
 C    4.281800       1.673100     -9.9999997E-05
 C    4.805500     -0.6814000      1.9999999E-04
 C   -3.685500      0.9897000      1.9999999E-04
 C   -4.023100     -0.3542000      9.9999997E-05
 C    5.223000      0.6471000      9.9999997E-05
 H  -0.9408000      -2.993300      1.9400001E-02
 H  -4.7300000E-02   2.968400     -3.9999999E-04
 H    1.354500      -3.682200      3.9999999E-04
 H    2.259400       3.444100     -3.0000001E-04
 H    3.730200      -3.146000      3.9999999E-04
 H    4.629900       2.703900     -9.9999997E-05
 H    5.558100      -1.467100      3.0000001E-04
 H    6.283200      0.8829000      9.9999997E-05
 H   -3.006900       3.178800      8.9999998E-04
 H   -2.795100      -3.132000     -0.5855000    
 H   -5.532800       1.478500      1.9999999E-04
 H   -5.372100      -1.703800     -5.0000002E-04


%chk=000115324-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115324

0 1
O -2.143509 2.779471 0.060815
O -3.534252 -2.689457 -0.092002
O -4.684794 1.991579 0.057879
O -5.429952 -0.689989 -0.053741
C 1.108964 -0.271366 -0.003790
C 0.119541 0.775768 -0.003574
C 2.515105 0.043383 -0.006786
C 0.703580 -1.665812 0.010634
C -1.296560 0.433692 -0.000060
C -1.672232 -0.978449 -0.017202
C 2.950480 1.416680 -0.018775
C 3.505144 -1.009174 0.005798
C -0.661860 -1.983782 0.005793
C 0.592858 2.143087 -0.012282
C 1.718186 -2.701990 0.033155
C 1.946440 2.445742 -0.022308
C 3.061045 -2.389385 0.028175
C -2.367785 1.392479 0.027017
C -3.054724 -1.352200 -0.061017
C 4.345296 1.713978 -0.024248
C 4.882056 -0.672738 0.000421
C -3.708915 0.977968 0.026540
C -4.060579 -0.389774 -0.023698
C 5.298190 0.680046 -0.015601
H -0.943549 -3.043435 0.058614
H -0.142971 2.945806 -0.011231
H 1.389884 -3.748159 0.051706
H 2.269054 3.493747 -0.031364
H 3.819488 -3.180908 0.041995
H 4.666070 2.762173 -0.034055
H 5.628170 -1.476045 0.010275
H 6.366947 0.920075 -0.019644
H -3.029180 3.233588 0.079383
H -2.905125 -3.287499 -0.563607
H -5.589589 1.588197 0.047229
H -5.540721 -1.674999 -0.095342


