%chk=000057589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057589

1 1
 O    1.477400     -0.8666000     -9.4599999E-02
 O    2.391400       1.141800      0.5066000    
 N   -2.234200     -0.8974000      0.2908000    
 N    3.703100     -0.6331000     -0.2741000    
 C  -0.8506000      -1.447100     -2.4800001E-02
 C   -2.709800     -2.6600000E-02 -0.8633000    
 C   -2.171200     -6.3900001E-02   1.562600    
 C   -3.205600      -2.052200      0.4888000    
 C   0.1859000     -0.3712000      0.2328000    
 C   -4.072200      0.5589000     -0.6353000    
 C   -1.698000     -0.9346000       2.706000    
 C   -3.264000      -2.876900     -0.7785000    
 C   -5.208200     -0.1355000      -1.051000    
 C   -4.202900       1.797700     -7.3000002E-03
 C   -6.475000      0.4087000     -0.8389000    
 C   -5.469700       2.341800      0.2048000    
 C   -6.605600       1.647200     -0.2111000    
 C    2.529200     -7.9999998E-04  8.6900003E-02
 C    5.016800     -0.1123000     -0.2449000    
 C    6.090400     -0.9052000     -0.6506000    
 C    5.239800       1.194700      0.1889000    
 C    7.386900     -0.3913000     -0.6223000    
 C    6.536300       1.708400      0.2170000    
 C    7.609800      0.9153000     -0.1886000    
 H  -0.8200000      -1.755600      -1.076900    
 H  -0.6559000      -2.341700      0.5779000    
 H   -1.996100      0.7991000     -0.9703000    
 H   -2.647000     -0.5729000      -1.809400    
 H   -1.578000      0.8424000       1.408900    
 H   -3.187800      0.2540000       1.815300    
 H   -2.828800      -2.699700       1.286900    
 H   -4.181000      -1.672100      0.8029000    
 H   5.2999998E-03  0.5148000     -0.3840000    
 H   0.2543000     -6.8000004E-02   1.278800    
 H   -2.477200      -1.622500       3.049900    
 H  -0.7861000      -1.508900       2.538000    
 H   -1.492200     -0.2858000       3.566500    
 H   -3.511000      -2.359900      -1.702700    
 H   -2.332200      -3.427100     -0.9478000    
 H   -4.035800      -3.646000     -0.6504000    
 H   -5.148400      -1.081600      -1.573500    
 H   -3.328700       2.358200      0.3129000    
 H   -7.359400     -0.1278000      -1.169900    
 H   -5.571500       3.307500      0.6911000    
 H   -7.591700       2.072100     -4.8200000E-02
 H    3.615100      -1.591900     -0.6017000    
 H    5.930500      -1.925100     -0.9909000    
 H    4.459300       1.866800      0.5173000    
 H    8.222800      -1.008600     -0.9381000    
 H    6.711400       2.726000      0.5545000    
 H    8.619300       1.315500     -0.1666000    


%chk=000057589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057589

1 1
O 1.494081 -0.798923 -0.002502
O 2.476600 1.277819 0.532181
N -2.263692 -0.901137 0.413308
N 3.745234 -0.571273 -0.262796
C -0.797983 -1.290694 0.146185
C -2.724189 0.113342 -0.709223
C -2.429072 -0.218085 1.797848
C -3.145278 -2.176256 0.384250
C 0.225604 -0.172419 0.395107
C -4.139626 0.632302 -0.580399
C -1.910740 -1.016614 3.000970
C -3.009260 -3.052637 -0.867182
C -5.226300 -0.052850 -1.188251
C -4.391107 1.864051 0.082509
C -6.537030 0.464687 -1.107626
C -5.701282 2.382810 0.163168
C -6.778023 1.680517 -0.426579
C 2.620242 0.101187 0.125637
C 5.089017 -0.073580 -0.301004
C 6.093348 -0.972555 -0.742565
C 5.427274 1.249527 0.078385
C 7.436335 -0.549294 -0.805192
C 6.777626 1.656182 0.009197
C 7.786035 0.768468 -0.429374
H -0.730157 -1.610880 -0.905719
H -0.563191 -2.157363 0.785430
H -1.998388 0.940005 -0.656458
H -2.569452 -0.425283 -1.658028
H -1.909833 0.752287 1.722771
H -3.506614 -0.010830 1.899435
H -2.867110 -2.756956 1.278216
H -4.181391 -1.820756 0.508940
H 0.052595 0.729461 -0.219942
H 0.283279 0.139246 1.453099
H -2.477884 -1.943009 3.188054
H -0.837929 -1.262844 2.935247
H -2.038982 -0.382250 3.895970
H -3.243405 -2.522127 -1.805165
H -2.014476 -3.517294 -0.961130
H -3.739501 -3.876005 -0.774528
H -5.050543 -0.978388 -1.750366
H -3.560020 2.434509 0.516233
H -7.364456 -0.068085 -1.586910
H -5.880396 3.336496 0.669554
H -7.793278 2.086092 -0.371099
H 3.604550 -1.540154 -0.558895
H 5.829320 -1.996698 -1.035977
H 4.652736 1.939871 0.418491
H 8.206998 -1.247907 -1.146948
H 7.040024 2.678306 0.302172
H 8.828893 1.096978 -0.478097


