%chk=000118599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118599

1 1
 O   -6.445300     -0.5431000      0.5226000    
 N    2.767800     -4.2100001E-02  -1.245700    
 N   -1.426800       1.585500     -0.5766000    
 C    2.907100      0.8247000      0.9381000    
 C    4.039200     -0.1227000      0.6615000    
 C    2.187600      0.7663000     -0.4148000    
 C    3.907300     -0.6076000     -0.6388000    
 C    3.421300       2.235800       1.232400    
 C    2.012100      0.3064000       2.066600    
 C    5.089500     -0.5299000       1.466500    
 C   0.9779000       1.556000     -0.6776000    
 C    4.810100      -1.507500      -1.180000    
 C    2.422100     -0.4051000      -2.628800    
 C    6.011200      -1.437900      0.9393000    
 C    5.872300      -1.922400     -0.3727000    
 C  -0.2074000       1.014000     -0.4020000    
 C   -2.693700       1.047800     -0.2992000    
 C   -3.846400       1.798400     -0.5486000    
 C   -2.811300     -0.2416000      0.2285000    
 C   -5.105300       1.264700     -0.2727000    
 C   -4.070100     -0.7753000      0.5042000    
 C   -5.217100     -2.2200000E-02  0.2536000    
 C   -6.587700      -1.958900      0.4167000    
 C   -8.014400      -2.283300      2.7700000E-02
 H    2.592000       2.936300       1.382300    
 H    4.041400       2.256500       2.135700    
 H    4.027900       2.624100      0.4052000    
 H    2.570600      0.2065000       3.004400    
 H    1.173600      0.9856000       2.255800    
 H    1.590400     -0.6777000       1.829200    
 H    5.200600     -0.1590000       2.479500    
 H    1.090400       2.553300      -1.084800    
 H    4.718500      -1.891200      -2.190000    
 H    2.226700      -1.480200      -2.674100    
 H    3.251300     -0.1284000      -3.286300    
 H    1.524700      0.1370000      -2.937700    
 H    6.845300      -1.774400       1.549300    
 H    6.601100      -2.628100     -0.7624000    
 H  -0.2205000      8.2000000E-03 -1.6000000E-03
 H   -1.422700       2.526600     -0.9566000    
 H   -3.774700       2.802800     -0.9587000    
 H   -1.957900     -0.8724000      0.4511000    
 H   -5.995300       1.855900     -0.4702000    
 H   -4.112600      -1.769400      0.9393000    
 H   -5.932700      -2.378400     -0.3573000    
 H   -6.354000      -2.417500       1.383800    
 H   -8.162600      -3.363800     -5.2400000E-02
 H   -8.715900      -1.884900      0.7681000    
 H   -8.267600      -1.819700     -0.9316000    


%chk=000118599-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118599

1 1
O -6.883900 -0.428166 -0.372982
N 2.604213 -0.666276 -0.344821
N -1.513604 1.013897 0.580934
C 3.462738 1.171680 0.902615
C 4.589804 0.288330 0.374969
C 2.210599 0.440719 0.366418
C 4.040452 -0.791257 -0.354082
C 3.552203 2.616930 0.325028
C 3.454671 1.210601 2.461241
C 5.981076 0.401914 0.514483
C 0.908806 0.923715 0.625080
C 4.836585 -1.781116 -0.956986
C 1.719232 -1.615331 -1.032071
C 6.807727 -0.581659 -0.086125
C 6.239866 -1.657497 -0.810553
C -0.344932 0.397712 0.266055
C -2.846769 0.574893 0.315676
C -3.903851 1.492437 0.568543
C -3.148601 -0.720053 -0.171353
C -5.233164 1.126077 0.329039
C -4.483730 -1.092189 -0.418506
C -5.538543 -0.169816 -0.171313
C -7.290546 -1.763781 -0.890813
C -8.809772 -1.745470 -1.008603
H 2.714600 3.242625 0.681316
H 4.491457 3.088999 0.661176
H 3.545176 2.613174 -0.778321
H 4.386285 1.679862 2.821862
H 2.606486 1.807208 2.841464
H 3.391905 0.196281 2.890976
H 6.429266 1.229608 1.074455
H 0.894626 1.855473 1.206069
H 4.419424 -2.622817 -1.517692
H 1.094514 -2.167095 -0.306096
H 2.324034 -2.345324 -1.586344
H 1.074219 -1.087376 -1.757337
H 7.895400 -0.511010 0.011196
H 6.893153 -2.408641 -1.265431
H -0.448450 -0.535513 -0.286782
H -1.449889 1.916759 1.065667
H -3.684255 2.498672 0.946689
H -2.363021 -1.462378 -0.346588
H -6.055744 1.821051 0.517337
H -4.693517 -2.098970 -0.788559
H -6.806912 -1.927318 -1.874702
H -6.945784 -2.541539 -0.180298
H -9.166916 -2.718795 -1.390007
H -9.277919 -1.564431 -0.026781
H -9.140697 -0.957098 -1.704943


