%chk=000089951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089951

0 1
 O    1.092100     -3.3500001E-02  -1.936800    
 O   -1.520900      -3.087100      0.3891000    
 O   0.4059000      -2.225400     -0.2146000    
 O   -5.331900       1.799300      0.2649000    
 O   -5.442100     -0.3462000      0.7164000    
 N    1.599600      0.3925000      0.3140000    
 N  -0.8169000      -2.111900      3.6300000E-02
 N   -4.793600      0.6705000      0.3689000    
 C  -0.6873000      0.2848000     -0.4727000    
 C   -1.427200     -0.8322000     -8.4200002E-02
 C   -1.308100       1.529000     -0.5826000    
 C   0.7370000      0.1909000     -0.7704000    
 C   -2.788100     -0.7048000      0.1943000    
 C   -3.408900      0.5395000      8.4299996E-02
 C   -2.668900       1.656300     -0.3041000    
 C    3.016000      0.3857000      0.3238000    
 C    3.699200      0.1563000     -0.8583000    
 C    3.685400      0.6094000       1.514800    
 C    5.094000      0.1500000     -0.8490000    
 C    5.080200      0.6033000       1.523900    
 C    5.784400      0.3736000      0.3420000    
 H  -0.7422000       2.406900     -0.8841000    
 H   -3.368700      -1.572800      0.4979000    
 H   -3.118800       2.641200     -0.4001000    
 H    1.165000      0.5712000       1.217200    
 H    3.239300     -2.4800001E-02  -1.818100    
 H    3.146400      0.7893000       2.440700    
 H    5.643800     -2.8800000E-02  -1.768600    
 H    5.618100      0.7774000       2.451300    
 H    6.870500      0.3687000      0.3492000    


%chk=000089951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089951

0 1
O 1.059068 -0.329057 -1.830287
O -1.866726 -3.272734 -0.224373
O 0.206699 -2.449970 0.261992
O -5.372114 1.975267 0.238955
O -5.669762 -0.283975 0.389485
N 1.677539 0.396234 0.330057
N -1.042376 -2.305601 -0.022569
N -4.932801 0.762602 0.242859
C -0.689482 0.182587 -0.258085
C -1.574444 -0.914471 -0.091407
C -1.250470 1.484858 -0.257348
C 0.775515 0.023879 -0.648003
C -2.962082 -0.751298 0.061277
C -3.468550 0.561029 0.066135
C -2.633691 1.688232 -0.086510
C 3.104821 0.415235 0.262027
C 3.825054 0.059649 -0.908590
C 3.802750 0.814049 1.432921
C 5.235598 0.109880 -0.887305
C 5.210919 0.858064 1.436379
C 5.936680 0.506618 0.274094
H -0.592256 2.345520 -0.413045
H -3.622253 -1.614133 0.180883
H -3.073085 2.689012 -0.079360
H 1.278689 0.607230 1.249010
H 3.284256 -0.252387 -1.803630
H 3.245798 1.085549 2.339425
H 5.789133 -0.167896 -1.790906
H 5.739790 1.164708 2.345133
H 7.031087 0.539620 0.276183


