%chk=000158392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158392

0 1
 O  -9.2200004E-02 -0.7571000       1.211400    
 O  -0.3989000      -3.065800      3.0200001E-02
 O   -2.091700       1.106300      0.2312000    
 O   -2.407800     -0.3912000      -1.526300    
 N    4.931000      0.6152000      0.5768000    
 N   -5.959000      0.9637000       1.350200    
 C    2.300000     -0.5936000      0.7849000    
 C    3.375900      -1.113700     -0.1808000    
 C    4.218600      0.1248000     -0.6279000    
 C    1.144200      -1.551300       1.157300    
 C    2.980200      2.9899999E-02   2.019600    
 C    1.485400      0.4349000      7.2300002E-02
 C    3.360100       1.204800      -1.372000    
 C    4.041800       1.078000       1.647000    
 C    1.942200       1.325900     -0.8820000    
 C   0.9834000      -2.764200      0.2040000    
 C    2.770500      -1.904100      -1.312600    
 C   0.1546000      0.3219000      0.4063000    
 C    1.664500      -2.641400      -1.133100    
 C    5.964500       1.601300      0.2790000    
 C    1.011000       2.216400      -1.419100    
 C  -0.7811000       1.194800     -0.1038000    
 C  -0.3381000       2.162000      -1.015000    
 C   -2.843500      0.2527000     -0.5836000    
 C   -4.265300      0.2077000     -0.1562000    
 C   -5.158100     -0.5867000     -0.8336000    
 C   -4.680600      0.9583000      0.9104000    
 C   -6.482700     -0.6078000     -0.4108000    
 C   -6.829000      0.1784000      0.6762000    
 H    4.043900      -1.810600      0.3476000    
 H    4.984600     -0.2285000      -1.332100    
 H    1.283000      -1.946300       2.172000    
 H    3.464500     -0.7700000       2.595800    
 H    2.244300      0.4943000       2.688600    
 H    3.310100      0.9100000      -2.429000    
 H    3.841700       2.187300      -1.350300    
 H    3.553100       2.020600       1.371000    
 H    4.630900       1.290700       2.548000    
 H    1.433200      -3.641500      0.6872000    
 H    3.266100      -1.907100      -2.278400    
 H    1.284900      -3.233300      -1.961100    
 H    5.555600       2.565600     -3.8600001E-02
 H    6.639600       1.236000     -0.5026000    
 H    6.584300       1.777700       1.165500    
 H    1.313000       2.939500      -2.172000    
 H   -1.047600       2.862000      -1.450300    
 H  -0.7915000      -3.155700      0.9153000    
 H   -4.861800      -1.194100      -1.683100    
 H   -4.026700       1.604300       1.485000    
 H   -7.220700      -1.220200     -0.9162000    
 H   -7.849200      0.1973000       1.045200    


%chk=000158392-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158392

0 1
O -0.081514 -0.908827 1.103938
O 0.011331 -3.573216 0.732875
O -2.156977 0.507225 -0.240349
O -3.261343 1.970940 -1.719481
N 4.952219 0.770807 0.653805
N -5.653061 -1.114329 1.212430
C 2.353027 -0.523868 0.900425
C 3.504090 -1.111901 0.025565
C 4.319073 0.102959 -0.521020
C 1.282633 -1.543839 1.399934
C 2.975791 0.271815 2.084969
C 1.524644 0.358290 -0.018853
C 3.473897 1.064267 -1.438629
C 3.968219 1.346618 1.601996
C 2.000772 1.159123 -1.064636
C 1.327491 -2.933129 0.689401
C 2.935125 -2.044983 -1.027095
C 0.159811 0.132092 0.185089
C 1.900940 -2.869689 -0.719506
C 6.030881 1.714331 0.311034
C 1.029804 1.881576 -1.808697
C -0.810167 0.841973 -0.548667
C -0.353783 1.754109 -1.540491
C -3.289633 1.074485 -0.844001
C -4.529351 0.455331 -0.295825
C -5.779780 0.882284 -0.812400
C -4.518007 -0.543135 0.716459
C -6.958576 0.299198 -0.307867
C -6.847795 -0.691309 0.697477
H 4.209345 -1.663808 0.681995
H 5.151733 -0.292775 -1.135481
H 1.282431 -1.676747 2.493451
H 3.509426 -0.444604 2.740313
H 2.175168 0.748856 2.681829
H 3.533159 0.702086 -2.484969
H 3.952862 2.064089 -1.445170
H 3.407534 2.205011 1.155014
H 4.523668 1.748438 2.470216
H 1.975969 -3.590607 1.303939
H 3.378415 -2.047820 -2.032081
H 1.475240 -3.577537 -1.440456
H 5.682403 2.657747 -0.179924
H 6.751947 1.224223 -0.367590
H 6.570821 2.002590 1.231461
H 1.345319 2.535009 -2.630176
H -1.082968 2.318715 -2.122426
H -0.663689 -2.854046 0.596791
H -5.799472 1.652252 -1.590528
H -3.570707 -0.889446 1.139653
H -7.942666 0.598860 -0.680403
H -7.740499 -1.171585 1.114162


