%chk=000001961.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001961

0 1
 O  -5.0999999E-02   1.429300     -4.4500001E-02
 O   -2.716100      -2.798300     -0.3348000    
 O   -5.373900      -2.102900     -0.1416000    
 N  -0.5710000       4.112900     -0.3051000    
 C    1.746300     -0.1111000      0.2709000    
 C    3.508200     -0.3980000      -1.528600    
 C    4.116900      0.6988000      0.6570000    
 C    3.634800      -1.773500      0.5793000    
 C    2.021000     -0.1168000      -1.251600    
 C    2.628000      0.9772000      0.9279000    
 C    2.147200      -1.488300      0.8506000    
 C    4.362500      0.6923000     -0.8609000    
 C    3.882700      -1.767700     -0.9383000    
 C    4.488400     -0.6762000       1.236400    
 C   0.2747000      0.1675000      0.5409000    
 C  -0.6146000     -0.8967000     -9.9799998E-02
 C   -2.066600     -0.5121000      1.2100000E-02
 C   -1.353200       1.896800      0.3485000    
 C   -2.429100      0.8355000      0.1983000    
 C   -1.612200       3.148300     -0.4886000    
 C   -3.058000      -1.495100     -0.1161000    
 C   -3.789800       1.158800      0.3134000    
 C   -4.405100      -1.152700     -2.3200000E-02
 C   -4.770300      0.1719000      0.1978000    
 H    3.690100     -0.3991000      -2.609300    
 H    4.729700       1.475900       1.127500    
 H    3.906100      -2.750500      0.9947000    
 H    1.748200      0.8437000      -1.706300    
 H    1.452300     -0.8909000      -1.775000    
 H    2.450700       1.006800       2.010800    
 H    2.374400       1.972200      0.5408000    
 H    1.571700      -2.303600      0.3993000    
 H    1.954600      -1.519100       1.930600    
 H    5.425000      0.5143000      -1.067500    
 H    4.115800       1.673600      -1.284600    
 H    3.291900      -2.557600      -1.418200    
 H    4.937000      -1.988800      -1.145900    
 H    5.553100     -0.8785000       1.067200    
 H    4.332300     -0.6799000       2.322200    
 H   9.7900003E-02  0.2191000       1.624800    
 H  -0.4592000      -1.848400      0.4159000    
 H  -0.4335000      -1.022600      -1.169600    
 H   -1.298800       2.169600       1.411600    
 H   -2.567500       3.612800     -0.2262000    
 H   -1.663000       2.880400      -1.551300    
 H   -4.105800       2.180600      0.5037000    
 H   -5.818600      0.4454000      0.2838000    
 H  -0.7192000       4.909400     -0.9230000    
 H   0.3302000       3.713400     -0.5640000    
 H   -1.819300      -2.859100     -0.6997000    
 H   -4.942600      -2.962400     -0.2900000    


%chk=000001961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001961

0 1
O -0.086579 1.361650 -0.184919
O -2.999146 -2.858426 -0.286336
O -5.564873 -2.059132 -0.092121
N -0.525692 4.113862 -0.314890
C 1.780546 -0.166939 0.194762
C 3.637294 -0.343055 -1.548856
C 4.126015 0.728530 0.695763
C 3.740049 -1.770536 0.544780
C 2.116128 -0.123545 -1.325904
C 2.606622 0.941520 0.918789
C 2.216654 -1.551353 0.764992
C 4.435139 0.774783 -0.824888
C 4.050822 -1.726242 -0.976159
C 4.539910 -0.653792 1.268055
C 0.271365 0.085774 0.461033
C -0.699186 -0.999980 -0.055694
C -2.147132 -0.525452 0.014037
C -1.379635 1.895311 0.296448
C -2.486402 0.845264 0.195232
C -1.618317 3.155229 -0.555586
C -3.194430 -1.467031 -0.087673
C -3.849741 1.214488 0.305950
C -4.556829 -1.093386 0.010360
C -4.884199 0.258469 0.216283
H 3.853890 -0.310716 -2.635174
H 4.687689 1.530354 1.214786
H 4.026411 -2.759464 0.955053
H 1.798394 0.850426 -1.741621
H 1.550813 -0.908798 -1.868413
H 2.379635 0.918626 2.005448
H 2.293135 1.933173 0.542641
H 1.659149 -2.367134 0.261788
H 1.978236 -1.608183 1.847968
H 5.521910 0.639311 -0.996766
H 4.157705 1.765699 -1.237212
H 3.502006 -2.534721 -1.500975
H 5.132056 -1.901835 -1.145987
H 5.627435 -0.816577 1.127500
H 4.342073 -0.688543 2.358616
H 0.123152 0.193190 1.562774
H -0.564312 -1.910908 0.565212
H -0.429107 -1.260415 -1.099219
H -1.243827 2.217199 1.354293
H -2.571058 3.621251 -0.246157
H -1.731647 2.827124 -1.616080
H -4.118908 2.263331 0.469096
H -5.937249 0.542123 0.297078
H -0.644295 5.016032 -0.784242
H 0.394622 3.696817 -0.486802
H -2.043868 -3.081736 -0.397049
H -5.139123 -2.945039 -0.237715


