%chk=000050789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050789

0 1
 O  -0.3509000       1.914300     -0.7483000    
 O   -1.285200       2.525700       1.264800    
 N    1.839500      0.2715000      0.1538000    
 N   -4.623000      -2.657200     -0.4769000    
 C    2.532300     -0.5165000       1.172500    
 C    2.837800      -1.940000      0.6700000    
 C    3.767000      -2.037600     -0.5585000    
 C    1.601600       1.627000      0.6249000    
 C    1.658300     -0.5746000       2.426200    
 C    3.142500      -1.428600      -1.814200    
 C    5.097300      -1.341600     -0.2543000    
 C   0.9155000       2.493000     -0.4344000    
 C    1.709900       2.593900      -1.730500    
 C   -1.220600       1.793800      0.2892000    
 C   -2.113000      0.6242000      8.8100001E-02
 C   -2.596500     -4.3900002E-02   1.194400    
 C   -2.432100      0.2422000      -1.198900    
 C   -3.435700      -1.142000       1.005500    
 C   -3.271400     -0.8558000      -1.387800    
 C   -3.773200      -1.547900     -0.2856000    
 H    3.476700     -3.2000002E-02   1.446100    
 H    1.896600      -2.458600      0.4411000    
 H    3.299800      -2.508400       1.488800    
 H    3.958100      -3.101400     -0.7469000    
 H   0.9539000     -0.1705000     -9.0499997E-02
 H   0.9953000       1.645500       1.532100    
 H    2.560300       2.099300      0.8749000    
 H   0.6208000     -0.8423000       2.194600    
 H    2.037900      -1.336600       3.117500    
 H    1.665100      0.3632000       2.990300    
 H   0.7615000       3.507100     -4.4300001E-02
 H    3.683700      -1.786600      -2.698300    
 H    3.211500     -0.3383000      -1.841300    
 H    2.097400      -1.731900      -1.932500    
 H    5.531700      -1.713200      0.6796000    
 H    5.817000      -1.544000      -1.055500    
 H    4.995600     -0.2543000     -0.1813000    
 H    2.722200       2.967600      -1.550200    
 H    1.770300       1.630100      -2.246400    
 H    1.207700       3.277900      -2.423800    
 H   -2.337000      0.2601000       2.204200    
 H   -2.065700      0.7718000      -2.073200    
 H   -3.819500      -1.673600       1.872500    
 H   -3.529700      -1.160600      -2.398800    
 H   -4.985300      -3.160900      0.3217000    
 H   -4.866000      -2.953300      -1.412900    


%chk=000050789-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050789

0 1
O -0.356440 1.242689 -0.400237
O -1.523141 2.273835 1.349209
N 2.174205 0.113538 0.491616
N -5.839946 -2.053051 -0.896661
C 3.197805 -0.553787 1.335851
C 3.663852 -1.886444 0.692516
C 4.365919 -1.833927 -0.699010
C 1.705124 1.437018 0.944383
C 2.733654 -0.820200 2.798946
C 3.374225 -1.705283 -1.881264
C 5.448644 -0.730654 -0.769788
C 0.832523 2.126024 -0.125677
C 1.518137 2.341337 -1.474402
C -1.485372 1.422088 0.420676
C -2.588824 0.507097 0.051026
C -3.793054 0.553776 0.805604
C -2.494001 -0.413562 -1.028586
C -4.870229 -0.288786 0.498699
C -3.565906 -1.261337 -1.345028
C -4.775212 -1.214479 -0.585678
H 4.065799 0.136314 1.381545
H 2.789225 -2.570346 0.628484
H 4.364382 -2.355300 1.414055
H 4.881806 -2.812861 -0.811351
H 1.379828 -0.509003 0.285239
H 1.120940 1.415785 1.893563
H 2.592541 2.076956 1.125795
H 1.896449 -1.544953 2.818036
H 3.559739 -1.237976 3.405025
H 2.392707 0.107885 3.292405
H 0.445983 3.073573 0.294505
H 3.909067 -1.753789 -2.849340
H 2.835130 -0.744835 -1.818771
H 2.628173 -2.523281 -1.865994
H 6.154380 -0.795717 0.080637
H 6.034633 -0.819487 -1.703838
H 4.983301 0.271967 -0.759067
H 2.365089 3.041629 -1.353247
H 1.912605 1.388960 -1.863668
H 0.811538 2.771684 -2.204499
H -3.859301 1.266827 1.634312
H -1.571894 -0.448586 -1.615844
H -5.792474 -0.239992 1.090283
H -3.479968 -1.964906 -2.182110
H -6.702888 -2.020760 -0.361214
H -5.778753 -2.709678 -1.669637


