%chk=000094768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094768

0 1
 O    7.049400     -1.5900001E-02 -2.0000001E-03
 O   -7.047500      2.0199999E-02 -2.7000001E-03
 N   0.6476000     -0.2326000      1.4000000E-03
 N  -0.6636000      0.2301000      1.7000000E-03
 C    2.938200      0.5550000      6.9999998E-04
 C   -2.935300     -0.5579000      1.4000000E-03
 C    5.701400      0.1712000     -1.9999999E-04
 C   -5.699900     -0.1691000     -3.9999999E-04
 C    3.795100       1.655500      1.0000000E-03
 C   -3.795900      -1.656600      1.1000000E-03
 C    3.462800     -0.7375000     -9.9999997E-05
 C   -3.459700      0.7358000      7.9999998E-04
 C    5.176700       1.463600      5.0000002E-04
 C   -5.177200      -1.462500       0.000000    
 C    4.844500     -0.9294000     -6.0000003E-04
 C   -4.841100      0.9300000     -9.9999997E-05
 C    1.497600      0.7549000      8.9999998E-04
 C   -1.497100     -0.7599000      2.0999999E-03
 C    7.518200      -1.363500     -2.6000000E-03
 C   -7.514000       1.368600     -2.9000000E-03
 H    3.401400       2.668600      1.6000000E-03
 H   -3.404200      -2.670700      1.5000000E-03
 H    2.818400      -1.612800     -5.0000002E-04
 H   -2.815200       1.611000      1.0000000E-03
 H    5.839400       2.324700      5.0000002E-04
 H   -5.841300      -2.322600     -6.0000003E-04
 H    5.184600      -1.959300     -1.5000000E-03
 H   -5.179400       1.960600     -6.9999998E-04
 H    1.136900       1.800600      7.9999998E-04
 H   -1.137300      -1.806000      2.2000000E-03
 H    7.216400      -1.894000     -0.9120000    
 H    7.217600      -1.894500      0.9070000    
 H    8.612400      -1.325100     -3.4000000E-03
 H   -7.212900       1.898700      0.9070000    
 H   -8.608400       1.332000     -4.1000000E-03
 H   -7.211000       1.899100     -0.9120000    


%chk=000094768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094768

0 1
O 7.200699 0.002352 -0.000346
O -7.199680 -0.002710 -0.000442
N 0.672624 -0.242973 -0.000484
N -0.671762 0.245135 -0.000582
C 2.990712 0.502225 -0.000435
C -2.989595 -0.500948 -0.000625
C 5.803731 0.091814 -0.000367
C -5.802676 -0.091629 -0.000485
C 3.892114 1.607591 -0.000375
C -3.890478 -1.606710 -0.000658
C 3.534641 -0.813257 -0.000482
C -3.533948 0.814327 -0.000527
C 5.281056 1.410997 -0.000338
C -5.279506 -1.410622 -0.000595
C 4.924201 -1.025586 -0.000452
C -4.923605 1.026129 -0.000461
C 1.549550 0.746882 -0.000440
C -1.548370 -0.745049 -0.000682
C 7.801732 -1.334747 -0.000031
C -7.801205 1.334163 0.000045
H 3.491383 2.628752 -0.000341
H -3.489358 -2.627702 -0.000730
H 2.839866 -1.659476 -0.000542
H -2.839486 1.660801 -0.000517
H 5.980936 2.251705 -0.000275
H -5.979063 -2.251599 -0.000614
H 5.315052 -2.047394 -0.000511
H -5.314870 2.047778 -0.000411
H 1.200819 1.795579 -0.000487
H -1.199140 -1.793588 -0.000668
H 7.514269 -1.905376 -0.904411
H 7.513777 -1.905170 0.904320
H 8.887314 -1.160992 0.000240
H -7.513433 1.904589 0.904453
H -8.886722 1.160005 0.000328
H -7.513978 1.905005 -0.904275


