%chk=000154529.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154529

0 1
 S   0.7016000       3.558600      0.2481000    
 F    2.832900      -3.438600     -0.7778000    
 F    4.369600      -2.103800      -1.526900    
 F    4.449800      -2.803700      0.5304000    
 O   -1.200700      -2.357200     -0.2127000    
 O   0.1903000       4.692900      0.9948000    
 O    1.947500       3.660400     -0.4855000    
 N  -0.7146000     -0.1752000      0.5219000    
 N   0.7066000       2.185800       1.285500    
 N    2.736000       1.099400      0.8142000    
 C   -2.980800     -0.8982000      0.3720000    
 C   -3.769500      -2.146500      0.7740000    
 C   -3.536200     -0.2738000     -0.9100000    
 C   -5.264500      -1.858500      0.8827000    
 C   -5.031600      9.9999998E-03 -0.7972000    
 C   -5.813000      -1.238500     -0.3989000    
 C   -1.533600      -1.245800      0.1859000    
 C   0.6988000     -0.1248000      0.4760000    
 C    1.387400       1.008000      0.8417000    
 C    1.401100      -1.236800      5.6000002E-02
 C    2.789900      -1.181500      1.4100000E-02
 C  -0.5705000       3.081000     -0.9001000    
 C    3.403900     -6.0000003E-04  0.3998000    
 C    3.589900      -2.353300     -0.4314000    
 C  -0.7901000       4.140600      -1.956500    
 H   -3.077400     -0.1698000       1.188900    
 H   -3.399800      -2.532800       1.731900    
 H   -3.623300      -2.948900      3.8899999E-02
 H   -3.356800     -0.9437000      -1.761400    
 H   -3.005800      0.6590000      -1.137200    
 H   -5.803700      -2.786700       1.103400    
 H   -5.444200      -1.177300       1.723600    
 H   -5.407600      0.3908000      -1.753500    
 H   -5.197700      0.7978000     -5.2200001E-02
 H   -6.870100     -0.9841000     -0.2626000    
 H   -5.763200      -1.974500      -1.210700    
 H   -1.168300      0.6829000      0.8222000    
 H   0.9407000      -2.164000     -0.2487000    
 H  -0.1664000       2.013100       1.799400    
 H   -1.489900       2.914000     -0.3312000    
 H  -0.2622000       2.147500      -1.378400    
 H    4.484600      0.1020000      0.3875000    
 H   0.1222000       4.319700      -2.534400    
 H   -1.092000       5.091900      -1.506600    
 H   -1.576300       3.828200      -2.650700    


%chk=000154529-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154529

0 1
S 0.553185 3.166821 -0.479056
F 3.144927 -3.692792 -0.673427
F 4.899818 -2.301339 -1.051317
F 4.559824 -3.152827 1.017763
O -1.085282 -2.326447 -0.467519
O 1.280593 4.606772 -0.251613
O 0.853580 2.253275 -1.792391
N -0.508961 -0.247046 0.444671
N 0.874273 1.988279 1.224035
N 2.974329 0.849787 1.039570
C -2.899817 -0.765432 0.073541
C -3.746916 -1.827014 0.829837
C -3.447733 -0.559446 -1.372446
C -5.247635 -1.454638 0.832400
C -4.948370 -0.188241 -1.360668
C -5.784198 -1.246880 -0.603456
C -1.435713 -1.202878 -0.004496
C 0.890043 -0.329305 0.453012
C 1.612925 0.830629 0.899793
C 1.633468 -1.483746 0.095394
C 3.032729 -1.439034 0.234327
C -1.370743 3.444968 -0.342716
C 3.669160 -0.268295 0.732695
C 3.880773 -2.627577 -0.118314
C -1.766118 4.650251 -1.188612
H -2.979987 0.201179 0.618632
H -3.376671 -1.934523 1.867906
H -3.596270 -2.803771 0.331623
H -3.298094 -1.503372 -1.931295
H -2.859052 0.219955 -1.896528
H -5.823352 -2.248367 1.345634
H -5.398369 -0.523312 1.417606
H -5.310341 -0.085099 -2.401590
H -5.085353 0.801352 -0.875552
H -6.848496 -0.944657 -0.574497
H -5.736208 -2.209108 -1.152677
H -0.866622 0.623899 0.855058
H 1.112313 -2.370921 -0.268838
H 1.487287 2.654153 1.741393
H -1.528504 3.582244 0.738668
H -1.777822 2.482967 -0.694292
H 4.754593 -0.226562 0.866921
H -1.562193 4.484756 -2.259854
H -1.230773 5.557674 -0.862203
H -2.851229 4.828670 -1.068823


