%chk=000117525.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117525

0 1
 O   -2.658000      0.4577000     -2.8500000E-02
 O    1.511000       1.767700      0.2665000    
 O   -3.949700      -1.041900      -1.204200    
 O    1.887400       3.005100      -1.638100    
 N    1.578600      -1.396100     -0.1445000    
 N   -4.804700      0.9712000     -0.4950000    
 N    3.247600       3.206400      0.2049000    
 C  -0.2892000      0.1395000      0.6093000    
 C   0.7247000     -0.9869000      0.9687000    
 C  -0.7687000      0.8349000       1.924300    
 C   -1.551700     -0.4335000     -9.8099999E-02
 C   0.3844000       1.155000     -0.3488000    
 C   -1.467800     -6.2600002E-02   2.939500    
 C   0.8489000      -2.282800      -1.050500    
 C    2.786400      -2.055200      0.3517000    
 C    1.702200      -2.668200      -2.247100    
 C    2.445800      -3.327600       1.108900    
 C   -3.812500      3.1399999E-02 -0.6269000    
 C    2.185300       2.685800     -0.4919000    
 H    1.365200     -0.5882000       1.768200    
 H   0.1863000      -1.837300       1.405900    
 H   -1.425900       1.681500       1.688300    
 H   9.9900000E-02   1.281700       2.426400    
 H   -1.369900     -0.5765000      -1.163900    
 H   -1.840300      -1.393200      0.3471000    
 H   0.6830000      0.6910000      -1.296400    
 H  -0.3393000       1.944200     -0.5927000    
 H  -0.8112000     -0.8645000       3.288700    
 H   -1.756600      0.5276000       3.815700    
 H   -2.378100     -0.5110000       2.532600    
 H   1.6600000E-02  -1.762000      -1.507400    
 H   0.4246000      -3.171100     -0.5700000    
 H    3.326500      -1.372000       1.020300    
 H    3.500200      -2.263600     -0.4522000    
 H    2.181500      -1.794100      -2.701800    
 H    2.472700      -3.402700      -1.994500    
 H    1.071800      -3.129100      -3.016300    
 H    1.793700      -3.164800       1.971300    
 H    2.015400      -4.109100      0.4769000    
 H    3.374900      -3.749100       1.512100    
 H   -5.730700      0.8199000     -0.8807000    
 H   -4.642200       1.845800     -7.4000000E-03
 H    3.859000       3.903600     -0.2065000    
 H    3.453900       2.909500       1.152800    


%chk=000117525-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117525

0 1
O -2.280245 0.657229 -0.934476
O 1.702892 1.555632 0.320652
O -4.183325 -0.197940 0.182409
O 0.781130 3.737144 0.327269
N 1.209054 -1.885327 -0.328675
N -4.228145 1.814112 -1.024898
N 2.844981 3.240071 1.325227
C -0.290317 0.045654 0.444757
C 0.600075 -1.186789 0.832402
C -0.807264 0.768314 1.726090
C -1.447964 -0.471776 -0.441067
C 0.524784 1.032489 -0.425104
C -1.677481 -0.073923 2.688749
C 0.682264 -3.254215 -0.561625
C 2.684195 -1.739775 -0.427592
C 1.040942 -3.815208 -1.950924
C 3.518373 -2.565365 0.590566
C -3.626322 0.681386 -0.523444
C 1.692163 2.929063 0.633829
H 1.387890 -0.812701 1.516253
H -0.015130 -1.896684 1.421192
H -1.376526 1.664050 1.409975
H 0.076157 1.146331 2.277855
H -1.040293 -0.960151 -1.342908
H -2.100508 -1.172224 0.109615
H 0.941071 0.503731 -1.299073
H -0.098102 1.884774 -0.744046
H -1.130014 -0.944981 3.092862
H -1.985130 0.545886 3.551240
H -2.599674 -0.436875 2.201119
H -0.419908 -3.200876 -0.479444
H 1.016444 -3.978352 0.223685
H 2.917211 -0.666332 -0.303820
H 2.994962 -2.010762 -1.454186
H 0.726887 -3.111168 -2.742508
H 2.125781 -3.994443 -2.060319
H 0.526482 -4.779817 -2.114677
H 3.244877 -2.314297 1.632497
H 3.371577 -3.652112 0.452629
H 4.596416 -2.352903 0.462444
H -5.209330 1.976854 -0.819368
H -3.690136 2.484197 -1.569121
H 2.991774 4.201390 1.618182
H 3.538431 2.523090 1.522475


