%chk=000102818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102818

0 1
 O   0.1505000     -0.9211000      -1.499800    
 O    3.848700      0.5333000       1.373100    
 O    8.207600      -1.966200      0.7721000    
 O    6.909500      -2.716000     -0.9342000    
 O   -6.866400      -2.144100       1.034800    
 O   -6.301900      -3.164200     -0.8253000    
 N    2.507900     -0.1834000     -0.3846000    
 N  -0.9317000     -4.4599999E-02  0.3889000    
 N   -6.032300      -2.399600      0.1326000    
 C    1.344100      0.6146000     -7.3299997E-02
 C    1.408200       1.963600     -0.7994000    
 C   0.2477000       2.873400     -0.4795000    
 C   0.1231000     -0.2001000     -0.5058000    
 C    3.670400     -0.1552000      0.3719000    
 C    4.724700      -1.091700     -0.1906000    
 C  -0.9104000       2.825600      -1.255700    
 C   0.3326000       3.761900      0.5925000    
 C   -2.214700     -0.6367000      0.3242000    
 C    6.012800      -1.077200      0.6260000    
 C   -1.983500       3.666300     -0.9599000    
 C  -0.7405000       4.602500      0.8882000    
 C   -1.898600       4.554600      0.1119000    
 C   -3.157800     -0.3675000       1.316000    
 C   -2.536600      -1.490000     -0.7313000    
 C   -4.422800     -0.9516000       1.252600    
 C   -3.801700      -2.074300     -0.7947000    
 C   -4.744700      -1.805100      0.1974000    
 C    7.056000      -2.007200      5.2000001E-02
 H    1.322500      0.7736000       1.011800    
 H    1.448400       1.806100      -1.886300    
 H    2.346600       2.478000     -0.5519000    
 H    2.477600     -0.7726000      -1.212400    
 H    4.306900      -2.105700     -0.2165000    
 H    4.932400     -0.7946000      -1.226000    
 H  -0.7881000      0.5728000       1.184900    
 H  -0.9895000       2.141100      -2.096100    
 H    1.228600       3.806200       1.205900    
 H    6.430400     -6.4000003E-02  0.6442000    
 H    5.805700      -1.388800       1.656000    
 H   -2.885100       3.629000      -1.564300    
 H  -0.6749000       5.293700       1.723300    
 H   -2.734200       5.208900      0.3424000    
 H   -2.919500      0.2964000       2.143200    
 H   -1.862500      -1.743000      -1.537400    
 H   -5.132100     -0.7189000       2.042700    
 H   -4.019100      -2.733500      -1.631500    
 H    8.890000      -2.567300      0.4043000    


%chk=000102818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102818

0 1
O 0.218941 -1.816523 -0.789999
O 3.912103 0.954744 0.706778
O 8.364527 -1.578429 0.977453
O 7.658920 -1.427939 -1.228212
O -7.368122 -1.424517 0.442707
O -6.606404 -3.413225 -0.380131
N 2.499812 -0.520140 -0.384532
N -1.115807 -0.120613 0.144612
N -6.418397 -2.204574 0.038369
C 1.308006 0.266807 -0.073581
C 1.230556 1.575696 -0.947538
C 0.270074 2.620128 -0.397866
C 0.091220 -0.663385 -0.275733
C 3.748651 -0.118861 0.038189
C 4.912378 -1.019460 -0.382031
C -0.909759 2.985825 -1.098008
C 0.547775 3.252501 0.845733
C -2.411956 -0.689062 0.088520
C 6.081890 -0.916205 0.612049
C -1.793794 3.956193 -0.570540
C -0.335281 4.219724 1.375256
C -1.510834 4.573299 0.670081
C -3.494894 0.128298 0.524675
C -2.660961 -2.014676 -0.367533
C -4.807904 -0.362713 0.510717
C -3.977645 -2.506439 -0.381088
C -5.037284 -1.681460 0.055943
C 7.399204 -1.328807 -0.007691
H 1.366847 0.585555 0.986908
H 0.975641 1.301953 -1.987331
H 2.256796 1.984233 -0.943577
H 2.335885 -1.419941 -0.851673
H 4.579509 -2.067070 -0.500404
H 5.267474 -0.690360 -1.378600
H -1.070163 0.850050 0.476569
H -1.131905 2.514527 -2.063327
H 1.472196 3.000774 1.380918
H 6.166171 0.137975 0.945842
H 5.909546 -1.509370 1.526585
H -2.694811 4.233482 -1.128893
H -0.102535 4.704526 2.329742
H -2.191791 5.328318 1.077894
H -3.300090 1.151047 0.869308
H -1.827501 -2.632648 -0.703738
H -5.652889 0.246746 0.840260
H -4.197575 -3.520450 -0.725147
H 9.228482 -1.808134 0.538463


