%chk=000100103.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100103

0 1
 O  -1.3700000E-02 -0.2616000       1.033400    
 O   -3.229800      -2.436100     -6.8000004E-02
 O   -1.749600     -0.5469000       2.510100    
 O   -5.345900      -1.717900      0.2790000    
 N   -2.131100     -7.6800004E-02  0.2705000    
 C    2.324800     -0.3889000       1.504800    
 C    2.610500      0.9724000      0.8868000    
 C    2.543900      -1.315200      0.3172000    
 C    2.963100      0.8313000     -0.4744000    
 C    2.922200     -0.5722000     -0.8239000    
 C   0.9164000     -0.4902000       2.077000    
 C   -4.192200      0.9001000     -0.7387000    
 C   -3.575500     -6.5399997E-02  0.3029000    
 C    2.575000       2.216800       1.494900    
 C    2.432000      -2.695400      0.2718000    
 C   -3.649900       2.331400     -0.5351000    
 C    3.274600       1.942500      -1.241100    
 C    3.183100      -1.210000      -2.025900    
 C   -3.985300      0.4152000      -2.180300    
 C    2.888800       3.336200      0.7219000    
 C    2.694600      -3.337500     -0.9396000    
 C    3.234400       3.200500     -0.6329000    
 C    3.065800      -2.602000      -2.077500    
 C   -1.342600     -0.3163000       1.376100    
 C   -4.263800       3.356200      -1.479300    
 C   -4.149600      -1.470300      0.1703000    
 H    3.080600     -0.5987000       2.271000    
 H   0.7699000      0.2518000       2.871100    
 H   0.7513000      -1.489700       2.497500    
 H   -5.277300      0.9229000     -0.5667000    
 H   -3.863600      0.2712000       1.307900    
 H   -3.852200       2.644900      0.4966000    
 H   -2.561700       2.355700     -0.6664000    
 H    2.313200       2.325900       2.541500    
 H    2.150000      -3.267300       1.148800    
 H    3.545300       1.853700      -2.287900    
 H    3.472600     -0.6561000      -2.912600    
 H   -4.560900       1.021800      -2.886600    
 H   -4.323200     -0.6173000      -2.312300    
 H   -2.932000      0.4667000      -2.474000    
 H   -1.661700      4.3299999E-02 -0.6218000    
 H    2.867400       4.325000       1.172500    
 H    2.612900      -4.419200      -1.004600    
 H    3.475200       4.086500      -1.214600    
 H    3.265800      -3.123900      -3.009700    
 H   -3.948400       3.192200      -2.513800    
 H   -3.942200       4.363800      -1.196200    
 H   -5.357000       3.326300      -1.436900    
 H   -3.640800      -3.323700     -0.1420000    


%chk=000100103-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100103

0 1
O -0.242814 -1.242159 1.236115
O -4.220769 -2.289689 -0.411502
O -1.558180 0.393764 2.334798
O -5.913850 -0.799509 0.141908
N -2.262340 -0.692031 0.371647
C 2.088220 -0.420176 1.497169
C 1.828053 0.897147 0.761557
C 2.701976 -1.294308 0.400075
C 2.269775 0.799097 -0.592138
C 2.808901 -0.556401 -0.815929
C 0.854910 -1.023312 2.202516
C -3.649890 1.106897 -0.782161
C -3.571602 -0.043934 0.293058
C 1.254929 2.086088 1.242983
C 3.143460 -2.625877 0.469616
C -2.722941 2.277420 -0.362288
C 2.149868 1.901129 -1.466996
C 3.364139 -1.152661 -1.969239
C -3.334226 0.579830 -2.200736
C 1.133840 3.192443 0.364012
C 3.697390 -3.227194 -0.689137
C 1.580649 3.100479 -0.977765
C 3.806992 -2.494368 -1.897180
C -1.385455 -0.427831 1.395802
C -2.888533 3.541146 -1.233720
C -4.694775 -1.045051 0.032838
H 2.839182 -0.257519 2.301981
H 0.490308 -0.360128 3.007588
H 1.091678 -2.018186 2.617688
H -4.700330 1.464331 -0.757009
H -3.768039 0.416351 1.279927
H -2.929685 2.535031 0.695115
H -1.668598 1.941212 -0.395733
H 0.887764 2.159891 2.272328
H 3.065431 -3.200812 1.400184
H 2.490038 1.834759 -2.506697
H 3.453281 -0.591710 -2.906514
H -3.473480 1.377022 -2.950673
H -3.992997 -0.260308 -2.488705
H -2.284889 0.236089 -2.267729
H -2.031334 -1.441110 -0.282257
H 0.687385 4.125698 0.725144
H 4.045103 -4.265608 -0.651432
H 1.480629 3.966571 -1.641868
H 4.239645 -2.973584 -2.782668
H -2.589969 3.362722 -2.282556
H -2.256056 4.361188 -0.847025
H -3.937137 3.895427 -1.233758
H -4.992259 -2.892567 -0.589835


