%chk=000065693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065693

0 1
 O  -0.2492000      0.4183000      0.5202000    
 N   -4.245200       1.016900      0.6509000    
 N    3.660400       2.227400      0.7771000    
 C   -3.904700     -0.3768000      0.9946000    
 C   -3.741400       1.143400     -0.7298000    
 C   -4.257800      -1.178700     -0.2629000    
 C   -4.149300     -0.1690000      -1.408300    
 C   -2.390200     -0.3942000       1.281000    
 C   -2.210200       1.282300     -0.6207000    
 C   -1.559300      8.0700003E-02  8.0700003E-02
 C   -5.675600       1.292800      0.7588000    
 C   0.7210000      0.1583000     -0.4970000    
 C    1.220300      -1.272000     -0.4329000    
 C    1.821700       1.186500     -0.4072000    
 C    1.964600      -1.760700      0.6598000    
 C    2.702300       1.269200      0.6772000    
 C   0.9078000      -2.143400      -1.492300    
 C    1.976500       2.128300      -1.433900    
 C    2.327300     -0.9392000       1.825800    
 C    2.644800      0.3642000       1.831800    
 C    2.352800      -3.111700      0.6750000    
 C    1.314800      -3.476600      -1.469200    
 C    2.963100       3.103500      -1.356900    
 C    2.034700      -3.961600     -0.3842000    
 C    3.770800       3.111800     -0.2377000    
 H   -4.439100     -0.7401000       1.879600    
 H   -4.142800       2.019800      -1.250900    
 H   -5.286100      -1.555000     -0.2050000    
 H   -3.600800      -2.041400     -0.4148000    
 H   -3.433600     -0.4923000      -2.171200    
 H   -5.125700     -6.4700000E-02  -1.896300    
 H   -2.172300      0.2374000       2.153200    
 H   -2.068900      -1.404800       1.563600    
 H   -1.778300       1.404600      -1.621500    
 H   -1.960100       2.204300     -7.8199998E-02
 H   -1.519500     -0.7605000     -0.6232000    
 H   -6.301000      0.6491000      0.1319000    
 H   -5.878300       2.333600      0.4829000    
 H   -6.002800       1.174400       1.797600    
 H   0.2523000      0.3046000      -1.480100    
 H   0.3354000      -1.788900      -2.346500    
 H    1.321900       2.113400      -2.301900    
 H    2.372400      -1.471900       2.774200    
 H    2.933500      0.8121000       2.780700    
 H    2.916800      -3.516200       1.513400    
 H    1.063800      -4.135600      -2.295000    
 H    3.088400       3.836000      -2.145700    
 H    2.348400      -5.001000     -0.3594000    
 H    4.553300       3.854000     -0.1206000    


%chk=000065693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065693

0 1
O -0.168672 0.876986 0.333237
N -4.320615 1.007154 0.202051
N 3.768350 2.099062 1.259022
C -3.758874 0.168960 1.312918
C -3.747570 0.319693 -1.000173
C -3.953050 -1.320556 0.837812
C -3.948690 -1.218614 -0.726068
C -2.262992 0.539351 1.464552
C -2.247218 0.703623 -1.086899
C -1.486418 0.217147 0.172478
C -5.800157 1.082986 0.199646
C 0.846892 0.538766 -0.701099
C 1.102247 -0.961058 -0.798838
C 2.057462 1.380020 -0.352944
C 1.597295 -1.729358 0.306029
C 2.787603 1.205289 0.866362
C 0.737468 -1.627277 -1.994664
C 2.426713 2.450276 -1.200187
C 2.099136 -1.159517 1.561140
C 2.607434 0.092668 1.802016
C 1.641725 -3.150431 0.174114
C 0.823560 -3.030097 -2.120368
C 3.462260 3.330223 -0.825608
C 1.266490 -3.798031 -1.017281
C 4.086416 3.124133 0.428266
H -4.293560 0.385218 2.254370
H -4.271619 0.656972 -1.912000
H -4.911892 -1.726081 1.206790
H -3.149938 -1.976278 1.218867
H -3.147439 -1.825332 -1.185020
H -4.907797 -1.566113 -1.149803
H -2.185154 1.622986 1.663618
H -1.806658 -0.000387 2.314968
H -1.806259 0.266832 -2.004641
H -2.170782 1.804954 -1.148257
H -1.325272 -0.878886 0.100933
H -6.322993 0.097598 0.138376
H -6.129368 1.696585 -0.658019
H -6.135764 1.587805 1.123144
H 0.471835 0.876904 -1.691267
H 0.364888 -1.031617 -2.837857
H 1.881478 2.604503 -2.138836
H 2.166405 -1.874905 2.393163
H 3.051159 0.288336 2.785523
H 2.006668 -3.743769 1.021313
H 0.532282 -3.519569 -3.056008
H 3.760195 4.167336 -1.464165
H 1.322465 -4.889618 -1.090261
H 4.867224 3.805732 0.786257


