%chk=000121936.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121936

0 1
 O   0.1540000       1.814600       1.066400    
 O    2.297800      0.6598000      -1.653000    
 O    3.522300       1.244000      0.8299000    
 O    4.042000      -1.005400     -0.8302000    
 O   -1.639500       1.021800       2.160800    
 O    3.248300      -3.504200      0.1351000    
 O   -5.023300      -1.414100     -0.2140000    
 N   -1.198200       1.485800      -1.357600    
 N   -3.417000      -3.058000     -0.1499000    
 C   0.8825000       1.901900     -0.1768000    
 C    1.583700      0.5674000     -0.4157000    
 C  -1.9900000E-02   2.336400      -1.318800    
 C    2.579800      0.1742000      0.6889000    
 C   -1.982400       1.652100     -0.1370000    
 C    3.358100      -1.122600      0.4188000    
 C   -3.160700      0.6812000     -0.1849000    
 C   -1.145600       1.426500       1.110000    
 C   -2.686700     -0.7662000     -0.1549000    
 C    2.447200      -2.348200      0.3600000    
 C   -3.842400      -1.747000     -0.1769000    
 H    1.631400       2.692700     -4.8200000E-02
 H   0.8401000     -0.2321000     -0.5096000    
 H  -0.3319000       3.378400      -1.169700    
 H   0.4981000       2.308500      -2.282100    
 H    2.050200      8.4100001E-02   1.644600    
 H   -2.373200       2.676200     -8.3099999E-02
 H   -1.770000       1.731400      -2.165400    
 H    4.136700      -1.266500       1.176100    
 H   -3.766800      0.8620000      -1.082500    
 H   -3.824800      0.8650000      0.6700000    
 H   -2.098100     -0.9873000      0.7415000    
 H   -2.058300     -0.9876000      -1.026000    
 H    1.901100      -2.477100       1.299400    
 H    1.736900      -2.289100     -0.4697000    
 H    1.662900      0.5002000      -2.371600    
 H    4.113400       1.017500       1.568100    
 H    3.384200      -1.048500      -1.544500    
 H    2.646100      -4.267300      0.1098000    
 H   -4.083400      -3.823000     -0.1602000    
 H   -2.434000      -3.309400     -0.1197000    


%chk=000121936-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121936

0 1
O -0.265992 1.559100 1.746299
O 0.684306 -0.531386 -0.385786
O 3.102884 1.121249 -1.156712
O 2.931537 -1.543666 -1.477874
O -2.465162 1.167668 2.188917
O 4.316779 -3.138296 0.779582
O -4.163330 -1.199759 -2.466601
N -0.754223 1.522646 -1.037993
N -4.110665 -2.865058 -0.854965
C 0.866124 1.687521 0.757888
C 1.482302 0.280636 0.553669
C 0.378939 2.360421 -0.531103
C 2.961249 0.337310 0.078918
C -1.953529 1.644528 -0.155480
C 3.524468 -1.087893 -0.204997
C -3.107962 0.732317 -0.623388
C -1.594850 1.406488 1.330040
C -2.873059 -0.777334 -0.407670
C 3.318587 -2.077213 0.947945
C -3.774618 -1.609916 -1.331573
H 1.593023 2.329066 1.282841
H 1.454564 -0.216076 1.544500
H 0.066157 3.407227 -0.332524
H 1.213844 2.346344 -1.251345
H 3.569900 0.843292 0.852462
H -2.327080 2.696513 -0.178933
H -1.000481 1.734732 -2.015208
H 4.607651 -1.013769 -0.404306
H -3.292345 0.906571 -1.701578
H -4.023764 1.039248 -0.089506
H -3.039556 -1.043963 0.651916
H -1.824296 -1.048508 -0.641367
H 3.475333 -1.554930 1.919490
H 2.281764 -2.472322 0.919155
H 0.000935 0.131059 -0.833077
H 3.094275 0.433833 -1.887534
H 1.934019 -1.475419 -1.329021
H 4.053925 -3.932798 1.306975
H -4.667326 -3.480697 -1.447863
H -3.813728 -3.190664 0.063208


