%chk=000053402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053402

0 1
 O  -0.5231000      8.2500003E-02   1.243400    
 O    3.117500      -2.753400     -0.1658000    
 O   0.4370000      -2.501500      0.9396000    
 O    3.564200       1.882000     -0.5165000    
 O    2.047800       3.527600      -1.192000    
 N   -4.028100      0.4121000      0.1509000    
 N    1.011600       2.275300      0.5269000    
 C   -4.164300     -0.8441000     -0.5997000    
 C   -5.263700      0.7324000      0.8793000    
 C   -5.314600     -0.7643000      -1.604600    
 C   -6.450000      0.8639000     -7.7399999E-02
 C   -6.625200     -0.3948000     -0.9193000    
 C   -2.895400      0.3365000       1.073300    
 C   -1.595600      0.1328000      0.3116000    
 C   0.7321000     -0.1172000      0.7308000    
 C    1.515200      0.9789000      0.3661000    
 C    1.196900      -1.426000      0.5847000    
 C    3.292100     -0.5062000     -0.3187000    
 C    2.478900      -1.570400      5.7300001E-02
 C    2.801600      0.8020000     -0.1619000    
 C    4.494700      -1.089800     -0.7973000    
 C    4.337100      -2.451700     -0.6829000    
 C   0.1227000      -3.438400     -8.7700002E-02
 C    1.302600       3.402100     -0.2304000    
 C    4.407900       2.429900      0.4902000    
 H   -4.322100      -1.693300      7.8000002E-02
 H   -3.279500      -1.061300      -1.203300    
 H   -5.146600       1.685600       1.409000    
 H   -5.482700     -3.5200000E-02   1.633500    
 H   -5.081200     -1.6300000E-02  -2.373200    
 H   -5.426000      -1.726000      -2.118100    
 H   -7.365600       1.057600      0.4926000    
 H   -6.295500       1.726700     -0.7377000    
 H   -6.948400      -1.223000     -0.2767000    
 H   -7.410900     -0.2412000      -1.667000    
 H   -3.024500     -0.4648000       1.813400    
 H   -2.811600       1.268400       1.647700    
 H   -1.435200      0.9552000     -0.3964000    
 H   -1.581400     -0.8106000     -0.2393000    
 H    5.368700     -0.5808000      -1.178400    
 H   0.2063000       2.357400       1.143900    
 H    4.967400      -3.297800     -0.9145000    
 H  -5.9799999E-02  -2.939800      -1.045900    
 H  -0.7894000      -3.967300      0.2037000    
 H   0.9269000      -4.172500     -0.1887000    
 H   0.7073000       4.255700      0.1367000    
 H    4.880500       3.330900      8.9500003E-02
 H    5.192900       1.715600      0.7583000    
 H    3.835000       2.703600       1.381800    


%chk=000053402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053402

0 1
O -0.452090 0.236452 0.884825
O 2.972822 -2.669552 -1.266049
O 0.088130 -2.314944 -0.209199
O 4.217540 1.625759 0.088629
O 2.099413 3.718836 -0.813616
N -4.104564 0.264983 0.037086
N 1.267370 2.254125 0.846695
C -4.542602 -1.147983 -0.102903
C -5.214698 1.132469 0.506504
C -5.708011 -1.268664 -1.105728
C -6.402270 1.086365 -0.476941
C -6.889659 -0.366652 -0.680559
C -2.868630 0.407804 0.840500
C -1.633265 0.134843 -0.027100
C 0.806699 -0.063999 0.324859
C 1.779329 0.997754 0.382158
C 1.109409 -1.353294 -0.179103
C 3.417528 -0.502093 -0.584439
C 2.424160 -1.509182 -0.673020
C 3.125171 0.764616 -0.008247
C 4.634790 -1.068675 -1.137441
C 4.334525 -2.351360 -1.536028
C 0.483531 -3.721535 0.019649
C 1.377773 3.475533 0.188634
C 4.313340 2.557301 1.225834
H -4.867752 -1.561832 0.889579
H -3.685460 -1.756291 -0.444160
H -4.835199 2.167827 0.592160
H -5.572497 0.820629 1.524422
H -5.348936 -0.962543 -2.107059
H -6.028332 -2.326454 -1.171347
H -7.221898 1.724403 -0.093686
H -6.074023 1.505416 -1.447723
H -7.318468 -0.747214 0.270039
H -7.696984 -0.402713 -1.436147
H -2.845964 -0.272335 1.726440
H -2.811978 1.442738 1.226532
H -1.538108 0.892013 -0.827783
H -1.652881 -0.874827 -0.469263
H 5.591776 -0.561772 -1.228781
H 0.483351 2.160696 1.502680
H 4.901921 -3.147364 -2.009750
H 1.120425 -4.092569 -0.800025
H -0.465010 -4.278142 0.053910
H 1.017213 -3.821194 0.983154
H 0.742355 4.248722 0.682224
H 5.390658 2.761058 1.328739
H 3.925324 2.094694 2.152008
H 3.779224 3.495149 1.007638


