%chk=000045953.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045953

0 1
 O   -1.760200       1.015600      -1.269000    
 O   0.4831000      -1.474100      -1.312700    
 O   -5.642800      0.8686000     -7.5999998E-02
 O   -4.075600       1.824700      -1.279700    
 N   0.9917000     -5.1500000E-02  0.4825000    
 N   -4.454600      0.9477000     -0.4679000    
 C    2.377800      0.1862000      0.3125000    
 C    2.934400       1.384200      0.7291000    
 C    3.150200     -0.8024000     -0.2757000    
 C    4.517100     -0.5865000     -0.4516000    
 C   -1.256000     -0.8689000      0.1088000    
 C    4.301400       1.600000      0.5533000    
 C    5.093000      0.6145000     -3.6800001E-02
 C   0.1403000     -0.8382000     -0.3042000    
 C    2.111500       2.456800       1.366400    
 C   -2.172100      5.9900001E-02 -0.3848000    
 C   -1.672200      -1.846500       1.012800    
 C    5.363100      -1.639500      -1.084100    
 C   -3.504500      1.1200000E-02  2.5200000E-02
 C   -3.004600      -1.895200       1.423100    
 C   -3.920700     -0.9666000      0.9290000    
 H    2.734000      -1.758400     -0.5766000    
 H   0.5275000      0.5472000       1.161500    
 H    4.766100       2.529600      0.8710000    
 H    6.156200      0.7960000     -0.1696000    
 H    1.725400       2.119000       2.333700    
 H    2.697500       3.364800       1.546900    
 H    1.275600       2.740100      0.7180000    
 H  -0.9677000      -2.575800       1.404500    
 H    5.278700      -1.584700      -2.174000    
 H    6.417600      -1.523100     -0.8118000    
 H    5.055200      -2.637600     -0.7548000    
 H   -3.328200      -2.656600       2.126900    
 H   -4.949600      -1.038000       1.272400    
 H  -0.8100000      0.9315000      -1.448400    


%chk=000045953-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045953

0 1
O -2.012069 -1.079250 -2.039024
O 0.376145 -0.801075 -1.443121
O -5.917369 -1.281947 -0.828813
O -4.651877 -0.641084 -2.616934
N 1.059363 0.189218 0.559980
N -4.819258 -0.835991 -1.357764
C 2.481169 0.202745 0.400022
C 3.238320 0.775814 1.472017
C 3.125537 -0.317206 -0.748937
C 4.537201 -0.282945 -0.861009
C -1.340722 -0.197119 0.146701
C 4.642560 0.801372 1.338950
C 5.290454 0.283144 0.194603
C 0.086142 -0.288868 -0.286302
C 2.567149 1.339416 2.715201
C -2.348913 -0.591116 -0.817347
C -1.746768 0.234186 1.435126
C 5.213397 -0.851947 -2.096018
C -3.721809 -0.494653 -0.424806
C -3.104239 0.293586 1.801529
C -4.092214 -0.078411 0.867285
H 2.516635 -0.742902 -1.548461
H 0.730967 0.612249 1.428686
H 5.240908 1.236750 2.147856
H 6.383413 0.320527 0.124638
H 1.992733 0.569955 3.270916
H 3.323110 1.733608 3.413500
H 1.881836 2.180273 2.482762
H -1.005330 0.514731 2.193406
H 4.811456 -0.396333 -3.019575
H 6.302772 -0.678218 -2.077215
H 5.046705 -1.942707 -2.175500
H -3.392017 0.622185 2.803672
H -5.155985 -0.058597 1.119653
H -0.960802 -1.095391 -2.075776


