%chk=000178227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178227

0 1
 O   -1.638600       3.878600     -2.4200000E-02
 O   0.5182000       3.469400     -2.9999999E-02
 N  -0.6721000       3.083900     -2.0900000E-02
 C   -1.621300      -1.039900     -3.2699998E-02
 C   -2.007900      -2.508600     -3.6300000E-02
 C   -2.630600     -5.2600000E-02  8.1000002E-03
 C   -3.475100      -2.780500     -0.3635000    
 C   -4.099500     -0.4000000      2.7000001E-03
 C   -4.378400      -1.840200      0.4155000    
 C  -0.2447000     -0.6540000     -1.5699999E-02
 C   8.1799999E-02  0.7234000     -9.1000004E-03
 C   -2.275500       1.299800      4.6999999E-03
 C  -0.9381000       1.681600     -5.5999998E-03
 C   0.8317000      -1.573900     -9.9999997E-05
 C    1.425800       1.135000     -2.0999999E-03
 C    2.178400      -1.165900      9.3999999E-03
 C    2.478900      0.2092000      6.3999998E-03
 C    3.230300      -2.097800      2.2200000E-02
 C    3.822200      0.6219000      1.5000000E-02
 C    4.559500      -1.674300      3.0099999E-02
 C    4.855200     -0.3151000      2.6200000E-02
 H   -1.406800      -3.052600     -0.7738000    
 H   -1.781900      -2.919000      0.9560000    
 H   -3.646900      -2.648000      -1.439400    
 H   -3.717300      -3.822800     -0.1275000    
 H   -4.644000      0.2677000      0.6814000    
 H   -4.486300     -0.2288000      -1.009900    
 H   -4.205200      -1.965400       1.491700    
 H   -5.430500      -2.081400      0.2271000    
 H   -3.082100       2.030500      9.6000005E-03
 H   0.6270000      -2.643800      1.0300000E-02
 H    1.836900       2.125900      1.3600000E-02
 H    3.021900      -3.165800      2.5200000E-02
 H    4.080800       1.678900      1.3200000E-02
 H    5.362200      -2.405700      3.9299998E-02
 H    5.889300      1.6700000E-02  3.2600001E-02


%chk=000178227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178227

0 1
O -1.877010 3.983834 -0.015234
O 0.379284 3.757395 -0.041827
N -0.810698 3.244313 -0.025593
C -1.623159 -1.021283 -0.040696
C -1.960187 -2.508896 -0.070214
C -2.643865 -0.056981 -0.011435
C -3.445965 -2.813756 -0.367629
C -4.124530 -0.421799 0.017761
C -4.371870 -1.883427 0.440935
C -0.230326 -0.597040 -0.024995
C 0.132097 0.829295 -0.020679
C -2.299538 1.327232 -0.007056
C -0.978298 1.769088 -0.021653
C 0.810268 -1.560225 -0.003501
C 1.504008 1.182058 -0.009228
C 2.179779 -1.205013 0.014071
C 2.531305 0.204346 0.006967
C 3.231798 -2.188408 0.036687
C 3.922455 0.574368 0.020247
C 4.567306 -1.796586 0.049600
C 4.916236 -0.400680 0.041001
H -1.328880 -3.019177 -0.822525
H -1.682028 -2.952599 0.909381
H -3.646526 -2.671779 -1.448422
H -3.653295 -3.875530 -0.138600
H -4.656457 0.275543 0.692614
H -4.555748 -0.256658 -0.992007
H -4.163949 -2.003759 1.522895
H -5.432780 -2.150083 0.280388
H -3.090727 2.083325 0.007154
H 0.558194 -2.625023 0.006933
H 1.775836 2.237591 -0.010387
H 2.964014 -3.251741 0.042678
H 4.184868 1.638515 0.014361
H 5.363143 -2.549086 0.066254
H 5.972545 -0.110973 0.051254


