%chk=000126851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126851

0 1
 O    2.166100       1.914400      -2.021600    
 O    4.720600      -1.746600     -0.8883000    
 O   2.8899999E-02   1.078900       2.221400    
 O   -2.041200       1.954300      0.8633000    
 O   -4.209100       1.741000      -1.713100    
 N    3.431800      8.5400000E-02  -1.424200    
 C    2.576200      0.3073000       1.221700    
 C    1.344800     -0.5930000       1.089800    
 C    2.489500       1.534700      0.3204000    
 C    3.871400     -0.4451000      0.9334000    
 C    2.653600       1.202100      -1.144100    
 C    4.040900     -0.7856000     -0.5288000    
 C   6.3500002E-02  0.1477000       1.420300    
 C   -1.196200     -0.2788000      0.7426000    
 C   -2.185100      0.6475000      0.4984000    
 C   -1.315000      -1.603700      0.3842000    
 C   -3.353900      0.2278000     -0.1369000    
 C   -2.483600      -2.023200     -0.2510000    
 C   -3.503200      -1.107400     -0.5117000    
 C   -4.456300       1.193100     -0.4245000    
 C   -2.643700      -3.450900     -0.6513000    
 H    2.623100      0.6601000       2.261000    
 H    1.427500      -1.439000       1.782400    
 H    1.286200     -0.9912000      7.1400002E-02
 H    3.297100       2.232900      0.5759000    
 H    1.550300       2.080800      0.4472000    
 H    3.909400      -1.373300       1.514700    
 H    4.734200      0.1655000       1.225700    
 H    3.559500     -0.1303000      -2.409100    
 H  -0.5406000      -2.334300      0.5966000    
 H   -4.412200      -1.435200      -1.010700    
 H   -5.424300      0.6806000     -0.4550000    
 H   -4.556300       1.992100      0.3163000    
 H   -3.699900      -3.739400     -0.6816000    
 H   -2.208600      -3.614000      -1.642300    
 H   -2.150600      -4.117800      6.4300001E-02
 H   -2.628000       2.523300      0.3415000    
 H   -3.363800       2.220700      -1.681600    


%chk=000126851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126851

0 1
O 2.916128 2.053078 -2.078133
O 4.848964 -1.943000 -0.755873
O 0.152548 1.242213 2.088010
O -2.143753 2.072880 0.810791
O -4.950820 1.484948 -1.710561
N 3.867547 0.075129 -1.338865
C 2.649243 0.315356 1.206716
C 1.361715 -0.463971 0.844874
C 2.819031 1.589422 0.340675
C 3.910630 -0.567792 1.061772
C 3.178614 1.292802 -1.109871
C 4.251196 -0.897703 -0.387318
C 0.080129 0.296809 1.253059
C -1.216245 -0.153401 0.644896
C -2.333842 0.727426 0.488587
C -1.369147 -1.507375 0.243660
C -3.566713 0.240341 -0.038828
C -2.582344 -2.022290 -0.267386
C -3.669356 -1.126588 -0.388149
C -4.757978 1.148133 -0.284743
C -2.706360 -3.476474 -0.686633
H 2.551539 0.639110 2.258127
H 1.369751 -1.434940 1.383704
H 1.324204 -0.711534 -0.233427
H 3.629218 2.220603 0.759234
H 1.909735 2.211488 0.345983
H 3.816736 -1.524920 1.602626
H 4.786248 -0.041560 1.493726
H 4.114854 -0.125642 -2.316471
H -0.520023 -2.190695 0.355591
H -4.625467 -1.486407 -0.788716
H -5.693350 0.636175 -0.008094
H -4.720317 2.082359 0.322377
H -3.749579 -3.829824 -0.616356
H -2.381272 -3.620452 -1.735201
H -2.082498 -4.135383 -0.057370
H -2.989437 2.582047 0.722464
H -4.076530 1.731030 -2.108176


