%chk=000050490.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050490

0 1
 O    2.727200      -2.635300     -0.8280000    
 O    4.415500      -1.832700      0.6917000    
 O   -5.234000      -1.139900      0.9701000    
 N    1.215700       3.357900      0.7320000    
 C    1.353700      0.7433000     -0.3107000    
 C   0.3065000       1.601000     -0.6629000    
 C  -0.7895000       1.204300      -1.595600    
 C    2.351800       1.213000      0.5854000    
 C    1.436400     -0.5637000     -0.8222000    
 C    2.498300      -1.353900     -0.4300000    
 C    3.461400     -0.8964000      0.4368000    
 C    3.419100      0.3785000      0.9622000    
 C   -1.983000      0.5746000     -0.9069000    
 C   0.2860000       2.877400     -0.1215000    
 C    2.221900       2.517500       1.063300    
 C    3.944000      -2.932200     -0.1132000    
 C   -3.016200       1.385800     -0.4742000    
 C   -2.010900     -0.7965000     -0.7270000    
 C   -4.114900      0.8061000      0.1602000    
 C   -3.109700      -1.376300     -9.2699997E-02
 C   -4.161800     -0.5749000      0.3508000    
 C   -5.217500      -2.557400       1.132500    
 H  -0.4311000      0.5569000      -2.405000    
 H   -1.133700       2.093500      -2.144900    
 H   0.7454000     -0.9726000      -1.545300    
 H    4.190200      0.7202000       1.645700    
 H  -0.5036000       3.583200     -0.3625000    
 H    2.948800       2.940700       1.751400    
 H    3.765900      -3.794400      0.5398000    
 H    4.722300      -3.195100     -0.8389000    
 H   -2.990400       2.461900     -0.6181000    
 H   -1.227100      -1.449400      -1.087400    
 H   -4.931500       1.435500      0.5036000    
 H   -3.085000      -2.455100      1.6799999E-02
 H   -5.219000      -3.073100      0.1662000    
 H   -6.144900      -2.834900       1.644300    
 H   -4.389900      -2.879500       1.773600    


%chk=000050490-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050490

0 1
O 2.420977 -2.674161 -0.092534
O 4.262157 -1.715131 1.110144
O -4.824383 -1.633030 1.307522
N 1.545864 3.758956 0.026754
C 1.325131 0.917926 -0.380736
C 0.328275 1.820161 -0.902621
C -0.873025 1.330195 -1.700013
C 2.441404 1.494860 0.349717
C 1.256526 -0.510071 -0.565617
C 2.280453 -1.270348 -0.033969
C 3.377231 -0.698837 0.682371
C 3.484955 0.661270 0.890235
C -1.895774 0.507802 -0.909064
C 0.496534 3.194444 -0.672385
C 2.478627 2.918117 0.514727
C 3.679043 -2.994877 0.631901
C -2.323455 0.913997 0.383779
C -2.474567 -0.655878 -1.464896
C -3.294916 0.185092 1.091373
C -3.454078 -1.404071 -0.769975
C -3.865573 -0.978875 0.516328
C -5.433431 -2.847116 0.761378
H -0.529411 0.733164 -2.568221
H -1.379912 2.219507 -2.125184
H 0.416981 -0.975371 -1.084457
H 4.322554 1.099948 1.439273
H -0.239373 3.908635 -1.061199
H 3.309744 3.376550 1.066055
H 3.439395 -3.628809 1.502275
H 4.384374 -3.471934 -0.069464
H -1.884645 1.808256 0.841521
H -2.162966 -0.989278 -2.463376
H -3.626820 0.492901 2.087772
H -3.877299 -2.299840 -1.234480
H -5.983409 -2.636487 -0.176829
H -6.137490 -3.188185 1.534461
H -4.673296 -3.631483 0.576837


