%chk=000060276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060276

0 1
 O    2.117300      -1.097800      0.2806000    
 O   -1.152500      -1.692000     -0.5389000    
 O    1.579600      -3.803900      0.6489000    
 O   0.6395000      0.9262000       1.491800    
 O   -2.711400      -1.263600       1.092600    
 N   -2.919000     -0.3913000      -1.047100    
 N   -5.155300       2.462300     -0.1964000    
 C   0.8355000      -3.039700     -0.3027000    
 C    1.735100      -1.922700     -0.8151000    
 C  -0.4085000      -2.484100      0.3812000    
 C    2.373700      0.2180000      6.0000003E-04
 C    1.631000       1.230300      0.6086000    
 C   -4.155800      0.3312000     -0.8587000    
 C    3.387200      0.5424000     -0.9013000    
 C   -2.303200      -1.126200     -5.6000002E-02
 C   -3.896100       1.755200     -0.3896000    
 C    1.901800       2.566700      0.3147000    
 C    3.658000       1.878900      -1.195100    
 C    2.915400       2.890900     -0.5872000    
 C  -7.2200000E-02   2.019200       2.069000    
 H   0.5566000      -3.694700      -1.134800    
 H    2.646900      -2.354100      -1.244600    
 H    1.221200      -1.343500      -1.592500    
 H   -1.028200      -3.319800      0.7300000    
 H  -0.1435000      -1.890100       1.264500    
 H   -4.679900      0.3268000      -1.820800    
 H   -4.772900     -0.2091000     -0.1314000    
 H    1.850100      -3.204900       1.366000    
 H    3.979600     -0.2346000      -1.376500    
 H   -2.473000     -0.3503000      -1.958500    
 H   -3.281800       2.290300      -1.122900    
 H   -3.339300       1.748400      0.5542000    
 H    1.366700       3.404400      0.7483000    
 H    4.448400       2.131500      -1.895800    
 H    3.127500       3.931200     -0.8165000    
 H   -4.964100       3.428000      6.7000002E-02
 H   -5.665700       2.502400      -1.077700    
 H  -0.8229000       1.593800       2.743200    
 H  -0.6163000       2.591800       1.310100    
 H   0.5826000       2.650600       2.679000    


%chk=000060276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060276

0 1
O 2.284332 -1.086821 -0.088433
O -1.261861 -1.944093 -0.252922
O 1.838867 -3.603717 0.999818
O 1.337602 0.216580 2.083589
O -1.838866 -0.169721 1.207191
N -2.820397 -0.427916 -0.911480
N -3.772133 3.199528 -1.471168
C 0.898464 -3.085168 -0.002894
C 1.621695 -2.106966 -0.943978
C -0.288775 -2.454571 0.748653
C 1.888732 0.258092 -0.248652
C 1.407797 0.956402 0.899900
C -3.626071 0.801461 -0.868396
C 2.001979 0.922429 -1.487205
C -1.972283 -0.776659 0.112313
C -2.899518 2.016374 -1.502998
C 1.034157 2.316152 0.772820
C 1.631002 2.282238 -1.606459
C 1.148655 2.973619 -0.474241
C 0.601656 0.817624 3.207012
H 0.567792 -3.966091 -0.581844
H 2.419851 -2.638562 -1.490939
H 0.915314 -1.632088 -1.648384
H -0.788158 -3.221825 1.364650
H 0.049877 -1.623283 1.390941
H -4.583121 0.617505 -1.392837
H -3.855204 1.038064 0.183083
H 2.312365 -2.810993 1.373053
H 2.396686 0.372448 -2.348977
H -2.809871 -1.012445 -1.747593
H -2.552481 1.735552 -2.526537
H -1.992595 2.226173 -0.907869
H 0.642464 2.861055 1.636504
H 1.728627 2.792994 -2.570053
H 0.863116 4.028440 -0.553564
H -3.299691 4.098680 -1.369789
H -4.521899 3.216511 -2.165893
H 0.617853 0.050653 3.995314
H -0.440320 1.027692 2.906792
H 1.106457 1.732753 3.571671


