%chk=000044470.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044470

0 1
 F    4.964100      -3.412500      7.0600003E-02
 O   -4.295400      0.3887000     -1.7999999E-02
 O   -5.800900      -1.432100     -0.3272000    
 O    2.951400       2.427300      -1.038000    
 N  -0.8566000       1.281200     -0.1429000    
 C   -3.195600     -0.4610000      0.3507000    
 C   -2.430900      0.2647000       1.475400    
 C   -2.224100     -0.6608000     -0.8314000    
 C   -1.761100       1.552100      0.9809000    
 C   -1.571800      0.6573000      -1.262800    
 C   -3.748100      -1.798700      0.8794000    
 C  -0.1958000       2.511500     -0.5776000    
 C   -4.781200      -2.393600     -6.8800002E-02
 C   -5.245200     -0.2403000     -0.8752000    
 C   0.6718000       3.083400      0.5400000    
 C    1.741200       2.097400       1.020900    
 C    2.682500       1.680700     -9.9799998E-02
 C    3.292400      0.3191000     -5.4099999E-02
 C    3.526400     -0.2576000       1.173000    
 C    3.597000     -0.3066000      -1.241400    
 C    4.096300      -1.530000       1.215600    
 C    4.166800      -1.579100      -1.198900    
 C    4.416500      -2.190900      2.9600000E-02
 H   -1.667300     -0.4003000       1.900400    
 H   -3.120900      0.5293000       2.286800    
 H   -2.730700      -1.089200      -1.702000    
 H   -1.437600      -1.372600     -0.5463000    
 H   -2.526000       2.288900      0.7035000    
 H   -1.225500       1.950000       1.847500    
 H  -0.8660000      0.4341000      -2.072300    
 H   -2.331700       1.335000      -1.673000    
 H   -4.255900      -1.610100       1.834900    
 H   -2.942900      -2.516400       1.071200    
 H  -0.9325000       3.266600     -0.8825000    
 H   0.4217000       2.312500      -1.460800    
 H   -4.331800      -2.716500      -1.014300    
 H   -5.251800      -3.269600      0.3886000    
 H   -4.817900     -0.4350000      -1.865000    
 H   -6.068200      0.4662000      -1.018500    
 H   8.2599998E-02   3.445400       1.388400    
 H    1.171600       3.978300      0.1452000    
 H    2.347300       2.577000       1.798200    
 H    1.260800       1.219400       1.464000    
 H    3.304200      0.2427000       2.109900    
 H    3.402600      0.1556000      -2.204400    
 H    4.294800      -2.005100       2.171800    
 H    4.415000      -2.094600      -2.122100    


%chk=000044470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044470

0 1
F 6.565338 -2.896350 0.235430
O -4.658734 0.577562 0.024712
O -6.320176 -1.172338 -0.250662
O 2.796888 2.018102 -1.427032
N -1.135834 1.245647 -0.092231
C -3.571522 -0.375699 0.448849
C -2.810654 0.389077 1.550047
C -2.605504 -0.665850 -0.730002
C -2.071120 1.623779 1.001511
C -1.883309 0.608198 -1.208211
C -4.247392 -1.653681 1.015040
C -0.312921 2.391898 -0.564047
C -5.319088 -2.215104 0.059555
C -5.648672 -0.027539 -0.851453
C 0.803142 2.784456 0.431539
C 1.748917 1.609057 0.741793
C 2.765411 1.326518 -0.364758
C 3.747729 0.201861 -0.170477
C 3.727786 -0.644332 0.971738
C 4.732639 -0.014925 -1.173728
C 4.667760 -1.685821 1.115369
C 5.680618 -1.047199 -1.048735
C 5.623428 -1.860517 0.098841
H -2.081378 -0.302192 2.014899
H -3.533490 0.704519 2.325082
H -3.135485 -1.128810 -1.583389
H -1.849054 -1.394760 -0.379973
H -2.822294 2.370073 0.643899
H -1.495691 2.094652 1.818508
H -1.162612 0.346837 -2.005018
H -2.634446 1.312507 -1.646578
H -4.734811 -1.393272 1.973232
H -3.481846 -2.427441 1.220093
H -0.947517 3.289327 -0.774372
H 0.162331 2.100525 -1.517884
H -4.866287 -2.585406 -0.886575
H -5.885931 -3.036429 0.525628
H -5.181091 -0.343495 -1.812867
H -6.420538 0.738008 -1.011952
H 0.360882 3.154664 1.375774
H 1.374752 3.620555 -0.011903
H 2.304291 1.781251 1.686031
H 1.126508 0.701952 0.898556
H 2.977412 -0.499361 1.754697
H 4.730924 0.646393 -2.046082
H 4.668625 -2.348107 1.985669
H 6.445614 -1.226990 -1.809365


