%chk=000044856.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044856

0 1
 O   -3.759600     -0.4113000     -0.9624000    
 O   -3.372100       1.034800      0.7933000    
 N    1.316900     -0.2575000      0.2601000    
 C    2.639000     -0.8915000      5.0900001E-02
 C    3.462100     -8.6999997E-02 -0.9755000    
 C    1.461200       1.138000      0.7115000    
 C    3.609600       1.373100     -0.5676000    
 C    2.243200       1.981200     -0.2928000    
 C   0.4881000     -0.9902000       1.221700    
 C    2.529000      -2.337600     -0.4529000    
 C  -0.9058000     -0.3713000       1.300600    
 C   -1.597000     -0.3909000     -6.2399998E-02
 C   -2.994800      0.1809000      2.6000000E-03
 C   -5.119800      2.9400000E-02  -1.027100    
 H    3.192600     -0.9064000       1.000200    
 H    2.982700     -0.1394000      -1.962200    
 H    4.460400     -0.5280000      -1.084900    
 H    1.953000       1.181800       1.692300    
 H   0.4982000       1.645900      0.8046000    
 H    4.119900       1.934800      -1.357600    
 H    4.232700       1.442600      0.3323000    
 H    2.363700       3.000500      9.1499999E-02
 H    1.678600       2.057400      -1.230900    
 H   0.9471000      -1.002200       2.218300    
 H   0.3550000      -2.032700      0.9150000    
 H    3.512100      -2.719700     -0.7509000    
 H    2.155500      -3.013000      0.3228000    
 H    1.867100      -2.408300      -1.323300    
 H  -0.9157000      0.6258000       1.750800    
 H   -1.502100     -0.9824000       1.992800    
 H   -1.655600      -1.426900     -0.4177000    
 H   -1.049900      0.1982000     -0.8058000    
 H   -5.616500     -0.5175000      -1.832900    
 H   -5.160800       1.099500      -1.251700    
 H   -5.633600     -0.1885000     -8.6000003E-02


%chk=000044856-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044856

0 1
O -3.785071 -0.547885 -0.974488
O -3.219667 1.146636 0.518819
N 1.342247 -0.207135 0.398188
C 2.636661 -0.867374 0.021701
C 3.345221 -0.032899 -1.077058
C 1.557883 1.196056 0.853048
C 3.567063 1.435121 -0.659995
C 2.223966 2.060175 -0.232481
C 0.536343 -0.967610 1.392117
C 2.431463 -2.310329 -0.489438
C -0.948208 -0.532770 1.422443
C -1.605127 -0.666488 0.032109
C -2.914387 0.084824 -0.074877
C -5.078454 0.140109 -1.201331
H 3.317674 -0.898056 0.916053
H 2.720605 -0.068886 -1.992398
H 4.312589 -0.516349 -1.315508
H 2.192811 1.215925 1.779239
H 0.579843 1.631497 1.121644
H 4.022444 2.007915 -1.490239
H 4.279387 1.475888 0.190290
H 2.369888 3.086804 0.155233
H 1.546983 2.124505 -1.106410
H 0.963710 -0.872394 2.423185
H 0.574904 -2.037513 1.126309
H 3.362991 -2.667332 -0.965004
H 2.180164 -3.028105 0.310521
H 1.626718 -2.331661 -1.247638
H -1.055378 0.510749 1.768454
H -1.481224 -1.160826 2.162503
H -1.764973 -1.721014 -0.252817
H -0.894503 -0.241636 -0.708334
H -5.610947 -0.493445 -1.924619
H -4.909334 1.151978 -1.607197
H -5.639886 0.223125 -0.255322


