%chk=000059085.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059085

0 1
 O  -0.5620000      0.9802000     -0.1632000    
 O    2.652400       1.775700       1.255200    
 O   0.1582000       1.139500       2.019400    
 N   -2.809200      -1.598800      0.6706000    
 C   -2.836100      0.4754000     -0.8944000    
 C   -1.885900      0.6929000      0.2972000    
 C   -2.392300     -0.7866000      -1.654800    
 C   -4.234200      0.2015000     -0.3220000    
 C   -1.859600     -0.5764000       1.167600    
 C   -2.407600      -1.989600     -0.6981000    
 C   -4.166700      -1.012000      0.6203000    
 C   0.3714000       1.184400      0.8135000    
 C    1.745200       1.466500      0.1975000    
 C    2.278500      0.2140000     -0.5459000    
 C    2.350600      -1.057600      0.3168000    
 C    1.601200       2.732700     -0.6509000    
 C    2.808000      -2.294100     -0.4660000    
 C    1.166000       3.989700      6.6799998E-02
 C    2.903100      -3.557100      0.3913000    
 C    1.835100       2.787800      -1.973700    
 C    3.284100      -4.767900     -0.4473000    
 H   -2.834600       1.340000      -1.566300    
 H   -2.241300       1.551900      0.8819000    
 H   -3.067500     -0.9730000      -2.498400    
 H   -1.387000     -0.6499000      -2.070300    
 H   -4.599100       1.079700      0.2237000    
 H   -4.942800      5.7000001E-03  -1.135500    
 H  -0.8705000      -1.042000       1.226200    
 H   -2.132500     -0.3202000       2.199400    
 H   -3.088700      -2.761500      -1.077700    
 H   -1.416200      -2.459600     -0.6739000    
 H   -4.480700     -0.7196000       1.630200    
 H   -4.887400      -1.774300      0.2987000    
 H    3.288700      0.4191000     -0.9239000    
 H    1.640300     -7.8999996E-03  -1.410900    
 H    1.371700      -1.272500      0.7555000    
 H    3.045700     -0.8988000       1.149200    
 H    2.106200      -2.469200      -1.291100    
 H    3.785900      -2.091400     -0.9199000    
 H    2.632700       1.051300       1.902300    
 H   0.1690000       3.867100      0.5011000    
 H    1.868200       4.238900      0.8687000    
 H    1.122300       4.854400     -0.6046000    
 H    1.940300      -3.747200      0.8797000    
 H    3.646900      -3.412900       1.183200    
 H    2.150500       1.926100      -2.549300    
 H    1.715900       3.714200      -2.527000    
 H    3.349600      -5.659800      0.1836000    
 H    4.255700      -4.620600     -0.9298000    
 H    2.538200      -4.956700      -1.226000    


%chk=000059085-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059085

0 1
O -0.581630 0.780847 -0.100720
O 2.722307 1.689068 1.213830
O 0.176570 1.390314 2.014523
N -3.034335 -1.719863 0.518510
C -2.936133 0.559287 -0.737797
C -1.965800 0.566345 0.458469
C -2.581402 -0.599754 -1.709615
C -4.363700 0.326866 -0.163379
C -2.070365 -0.812937 1.198682
C -2.594701 -1.944776 -0.894975
C -4.391468 -1.090766 0.522901
C 0.381901 1.193209 0.786235
C 1.767378 1.423362 0.125067
C 2.237495 0.148434 -0.620339
C 2.345505 -1.095375 0.286112
C 1.674056 2.691903 -0.757775
C 2.954988 -2.309092 -0.449717
C 1.550407 3.995778 0.009362
C 3.036577 -3.573789 0.435442
C 1.722902 2.653278 -2.113625
C 3.669013 -4.779840 -0.291621
H -2.883082 1.529005 -1.262425
H -2.167530 1.409430 1.143949
H -3.326442 -0.622426 -2.526770
H -1.592857 -0.418124 -2.165140
H -4.621311 1.124879 0.559727
H -5.098313 0.386620 -0.987580
H -1.079240 -1.301147 1.219908
H -2.393449 -0.665639 2.243606
H -3.278531 -2.683953 -1.349113
H -1.587834 -2.398710 -0.862871
H -4.733146 -1.020005 1.571332
H -5.079598 -1.774918 -0.004604
H 3.230281 0.378201 -1.051331
H 1.544597 -0.058850 -1.456700
H 1.340492 -1.375527 0.667831
H 2.964101 -0.842397 1.167642
H 2.356409 -2.537146 -1.357327
H 3.972995 -2.047038 -0.806564
H 2.192057 1.794545 2.053432
H 0.698611 3.978334 0.717484
H 2.460265 4.170118 0.610709
H 1.409841 4.847341 -0.676988
H 2.017579 -3.841996 0.782605
H 3.622910 -3.340222 1.347310
H 1.826280 1.722435 -2.678708
H 1.665048 3.576190 -2.702539
H 3.712047 -5.670325 0.362193
H 4.701159 -4.549254 -0.616905
H 3.086797 -5.050420 -1.193034


