%chk=000100679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100679

0 1
 O    6.494600      0.2463000      0.1472000    
 O    5.183900      -1.564000     -0.3378000    
 N  -0.2057000       2.265900      0.4653000    
 N   -1.194700     -0.3077000     -0.1330000    
 N    2.438100     -0.9078000     -0.2493000    
 N    4.264900      0.5346000      0.1589000    
 N   0.5994000      -2.347500     -0.6444000    
 C   -2.029400      0.6854000     -4.7800001E-02
 C   -1.581400       2.137700      3.4499999E-02
 C   -3.496100      0.3991000     -7.5099997E-02
 C   0.6753000       1.227900      0.2210000    
 C   0.1803000     -4.0399998E-02 -9.0999998E-02
 C   -3.978700     -0.7912000      0.4613000    
 C   -5.347800      -1.057900      0.4356000    
 C   -6.228000     -0.1330000     -0.1261000    
 C   -4.370600       1.324900     -0.6368000    
 C    2.055400       1.409700      0.3177000    
 C    1.097200      -1.060700     -0.3162000    
 C   -5.739400       1.058300     -0.6625000    
 C    2.883300      0.3257000      7.0400000E-02
 C   -5.847800      -2.339900       1.016000    
 C   -7.697600     -0.3962000     -0.1645000    
 C    5.291500     -0.3804000     -4.1099999E-02
 C    7.660900     -0.5675000     -2.2900000E-02
 C    8.892400      0.2787000      0.2207000    
 H   -1.679100       2.581400     -0.9627000    
 H   -2.226000       2.689200      0.7262000    
 H   0.1624000       3.188600      0.6637000    
 H   -3.296500      -1.511200      0.9067000    
 H   -4.018300       2.255100      -1.072200    
 H    2.463400       2.383800      0.5735000    
 H   -6.411200       1.788300      -1.106300    
 H   -6.535600      -2.145300       1.845400    
 H   -6.357500      -2.936300      0.2523000    
 H   -5.030600      -2.953300       1.411500    
 H   -8.095700     -0.5106000      0.8489000    
 H   -8.245100      0.4279000     -0.6351000    
 H   -7.912700      -1.299300     -0.7446000    
 H    4.559700       1.477600      0.4013000    
 H  -0.3192000      -2.606100     -0.3057000    
 H    1.281300      -3.080100     -0.7972000    
 H    7.634400      -1.397000      0.6924000    
 H    7.681700     -0.9662000      -1.043300    
 H    9.804000     -0.3131000      9.8700002E-02
 H    8.923200       1.123500     -0.4752000    
 H    8.876700      0.6999000       1.231400    


%chk=000100679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100679

0 1
O 6.565953 0.232461 0.144361
O 5.291457 -1.750243 0.057878
N -0.163094 2.352987 0.038502
N -1.208450 -0.263524 -0.031812
N 2.441055 -0.988771 -0.036280
N 4.332033 0.448608 0.088871
N 0.586840 -2.412782 -0.137662
C -2.062887 0.745859 -0.082103
C -1.601566 2.207000 -0.251091
C -3.516468 0.483873 -0.035626
C 0.725794 1.291017 0.000444
C 0.171619 -0.025694 -0.061097
C -4.002060 -0.835555 0.197431
C -5.377419 -1.135321 0.242406
C -6.331510 -0.083875 0.045840
C -4.473790 1.518093 -0.228728
C 2.130819 1.451073 0.059239
C 1.080391 -1.133121 -0.078459
C -5.853478 1.227164 -0.188632
C 2.928607 0.272917 0.036632
C -5.840975 -2.558267 0.500868
C -7.821637 -0.364718 0.087920
C 5.348652 -0.506245 0.091515
C 7.798178 -0.599044 0.162295
C 8.980238 0.365991 0.178270
H -1.844188 2.542939 -1.287511
H -2.175778 2.857321 0.437563
H 0.208290 3.297980 0.127349
H -3.260955 -1.627209 0.347984
H -4.158988 2.549192 -0.421535
H 2.586929 2.445816 0.115867
H -6.577757 2.036173 -0.343260
H -6.459691 -2.625628 1.416772
H -6.463078 -2.941768 -0.330923
H -4.983190 -3.240560 0.623225
H -8.128050 -0.793119 1.062011
H -8.407265 0.555752 -0.075673
H -8.119699 -1.098489 -0.686149
H 4.671549 1.411526 0.129565
H -0.422788 -2.542998 -0.150462
H 1.240205 -3.191689 -0.129421
H 7.773714 -1.247549 1.057386
H 7.798798 -1.250109 -0.731030
H 9.927756 -0.202961 0.194885
H 8.976483 1.008462 -0.719093
H 8.948702 1.013830 1.071269


