%chk=000145713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145713

0 1
 O    3.531700      0.8963000     -0.4448000    
 O   -2.694200     -0.1222000       2.303400    
 O   -5.084500      -2.650000     -0.7068000    
 N   -2.770000      0.6081000      9.2399999E-02
 N   -3.787400      -1.413900      0.7523000    
 C   -3.032700      0.2345000      -1.290700    
 C   -1.982400       1.807600      0.3271000    
 C   -4.364800     -0.4750000      -1.416500    
 C  -0.5150000       1.565300      0.1218000    
 C   -3.047500     -0.2856000       1.133600    
 C   -4.437900      -1.634800     -0.4574000    
 C   4.3600000E-02   1.756200      -1.136200    
 C   0.2696000       1.152200       1.192200    
 C    5.315200     -0.7070000     -0.3779000    
 C    2.201600       1.116300     -0.2581000    
 C    4.148900     -9.0099998E-02  0.3811000    
 C    6.014600      -1.786100      0.4439000    
 C    1.406900       1.530700      -1.327000    
 C    1.632900      0.9269000       1.001500    
 C    7.151400      -2.429500     -0.3339000    
 H   -2.216000     -0.4209000      -1.615200    
 H   -3.036800       1.129500      -1.921700    
 H   -2.155000       2.153700       1.353900    
 H   -2.347300       2.610100     -0.3254000    
 H   -4.499900     -0.8441000      -2.438300    
 H   -5.190900      0.2055000      -1.180200    
 H   -3.904000      -2.132800       1.461200    
 H  -0.5641000       2.080900      -1.976000    
 H  -0.1581000       1.010800       2.180500    
 H    6.026900      8.0499999E-02 -0.6561000    
 H    4.949600      -1.127500      -1.323200    
 H    3.448800     -0.8962000      0.6363000    
 H    4.507400      0.3873000       1.300400    
 H    5.295100      -2.561600      0.7315000    
 H    6.410400      -1.351500       1.369100    
 H    1.844300       1.679900      -2.310300    
 H    2.220700      0.6327000       1.865900    
 H    6.782000      -2.903900      -1.248700    
 H    7.905800      -1.686700     -0.6122000    
 H    7.639300      -3.198000      0.2739000    


%chk=000145713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145713

0 1
O 3.429155 0.265126 -0.772581
O -3.092643 0.340826 2.431604
O -5.782092 -2.257814 -0.333036
N -2.992858 0.777499 0.121693
N -4.318372 -1.002008 0.967287
C -3.200909 0.228014 -1.236511
C -2.004687 1.873104 0.306281
C -4.621765 -0.346074 -1.378660
C -0.565122 1.443270 0.045580
C -3.426499 0.081841 1.237506
C -4.967638 -1.302014 -0.239804
C 0.119229 1.844025 -1.131324
C 0.118494 0.622990 0.976721
C 5.569350 -0.808527 -0.432768
C 2.114007 0.614122 -0.438245
C 4.179941 -0.589826 0.168648
C 6.462468 -1.689687 0.471825
C 1.444750 1.438629 -1.376817
C 1.446657 0.204064 0.745709
C 7.866532 -1.912937 -0.129813
H -2.443318 -0.552072 -1.456443
H -3.048922 1.045762 -1.962439
H -2.125506 2.221722 1.346159
H -2.288856 2.697917 -0.374023
H -4.736036 -0.891524 -2.329475
H -5.369676 0.470514 -1.369729
H -4.572032 -1.558299 1.790049
H -0.386910 2.488234 -1.861806
H -0.396359 0.313932 1.894146
H 6.049769 0.175773 -0.592974
H 5.461036 -1.278874 -1.428914
H 3.645458 -1.554238 0.300253
H 4.248557 -0.084736 1.155000
H 5.971033 -2.670414 0.636004
H 6.559670 -1.216626 1.470293
H 1.980895 1.747976 -2.279223
H 1.947050 -0.425346 1.487190
H 7.800928 -2.412515 -1.114432
H 8.392170 -0.950828 -0.276184
H 8.491251 -2.543382 0.528654


