%chk=000030594.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030594

0 1
 O   -3.339100     -0.5423000      0.8366000    
 O   0.3532000     -0.8931000     -0.1290000    
 O    1.373600       3.636800      0.1206000    
 O    4.678500      0.6139000     -0.8334000    
 O   -5.308800     -0.5593000     -0.3649000    
 N   0.7524000       1.402300     -0.1498000    
 N    2.993100       2.113900     -0.4086000    
 C  -0.5932000       1.693900      0.2822000    
 C   -1.601500       1.290700     -0.7959000    
 C  -0.8958000       1.005300       1.615300    
 C   -3.352200      0.8751000      0.9930000    
 C   -3.039900       1.546600     -0.3449000    
 C   -2.334700       1.259400       2.066800    
 C    2.398500     -0.1233000      -1.134900    
 C    1.080400      6.1700001E-02 -0.4055000    
 C    1.672100       2.469200     -0.1449000    
 C    2.907100      -1.558200      -1.005300    
 C    3.477300      0.8657000     -0.7615000    
 C    3.309600      -1.873900      0.4320000    
 C   -4.225900      -1.049300     -7.5499997E-02
 C    3.787700      -3.319800      0.5635000    
 C   -3.655100      -2.314500     -0.6720000    
 C    4.159500      -3.655200       1.998900    
 C   -4.596700      -2.945500      -1.682700    
 H  -0.7108000       2.772900      0.4420000    
 H   -1.406500       1.864600      -1.710900    
 H   -1.512800      0.2379000      -1.080600    
 H  -0.7514000     -7.6800004E-02   1.597500    
 H  -0.2093000       1.382200       2.384400    
 H   -4.348900       1.176000       1.339400    
 H   -3.717700       1.228600      -1.143000    
 H   -3.183800       2.629400     -0.2353000    
 H   -2.451200       2.321300       2.315600    
 H   -2.522500      0.6860000       2.982400    
 H    2.176100      6.0300000E-02  -2.195700    
 H    3.771000      -1.707900      -1.665500    
 H    2.137000      -2.264800      -1.339400    
 H    3.686500       2.845600     -0.2799000    
 H    2.464900      -1.721100       1.113000    
 H    4.112200      -1.212900      0.7756000    
 H    3.000000      -4.005100      0.2291000    
 H    4.658100      -3.484800     -8.2199998E-02
 H   -3.466000      -3.025000      0.1395000    
 H   -2.707100      -2.070000      -1.162400    
 H    4.499100      -4.693300       2.069600    
 H    4.967400      -3.008700       2.356500    
 H    3.300300      -3.532900       2.666000    
 H   -5.554400      -3.204900      -1.219400    
 H   -4.157000      -3.858800      -2.095000    
 H   -4.800600      -2.259300      -2.511400    


%chk=000030594-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030594

0 1
O -3.400489 -0.745367 0.315573
O 0.434546 -0.890565 -1.355850
O 1.634967 3.118968 0.767745
O 4.825630 1.063179 -1.878856
O -5.576582 -0.128386 -0.263121
N 0.989744 1.089781 -0.247510
N 3.183800 2.027575 -0.560575
C -0.386370 1.228928 0.356426
C -1.487762 1.392806 -0.718517
C -0.710341 0.073249 1.334180
C -3.200975 0.576465 1.009030
C -2.847528 1.660180 -0.030599
C -2.069902 0.345415 2.022943
C 2.733572 -0.177572 -1.585861
C 1.300636 -0.020922 -1.068868
C 1.911442 2.131483 0.037651
C 3.371756 -1.487052 -1.000636
C 3.672760 0.999839 -1.379210
C 3.550129 -1.479460 0.532930
C -4.642357 -0.962775 -0.291272
C 4.179135 -2.795043 1.046604
C -4.666525 -2.328833 -0.961007
C 4.360816 -2.813015 2.579304
C -6.019465 -2.647357 -1.621026
H -0.327338 2.168174 0.937194
H -1.237397 2.237777 -1.387353
H -1.547341 0.477355 -1.330144
H -0.761553 -0.881200 0.784406
H 0.085363 -0.006982 2.098962
H -4.153464 0.829977 1.510199
H -3.655879 1.728925 -0.779522
H -2.818500 2.633815 0.500378
H -1.998952 1.250018 2.660200
H -2.335751 -0.500062 2.682873
H 2.653317 -0.336080 -2.678649
H 4.352072 -1.620056 -1.494693
H 2.719787 -2.327657 -1.301346
H 3.809949 2.817954 -0.372533
H 2.567902 -1.333191 1.028565
H 4.194418 -0.629538 0.838710
H 3.541143 -3.647652 0.737489
H 5.161308 -2.944611 0.554146
H -4.401758 -3.086139 -0.198577
H -3.842661 -2.354466 -1.700267
H 4.818300 -3.760107 2.918553
H 5.014079 -1.984537 2.911994
H 3.388985 -2.703618 3.096501
H -6.834367 -2.644575 -0.877082
H -5.986998 -3.641022 -2.101736
H -6.272600 -1.895423 -2.387752


