%chk=000048809.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048809

0 1
 O   0.6393000      0.7361000      -2.447600    
 O  -1.1900000E-02  0.1479000       2.165300    
 O    2.596100      -2.771600     -0.2286000    
 N    1.695900     -0.9584000      -1.318400    
 N    1.370000      -1.252500      0.9858000    
 C   0.7141000      0.8831000     -2.8400000E-02
 C  -0.5743000       1.715300     -0.1041000    
 C   -1.805300      0.9099000     -0.5603000    
 C    1.905100       1.814700      0.2587000    
 C   -2.142100     -0.3045000      0.3300000    
 C   0.9768000      0.2258000      -1.379600    
 C   0.6211000     -9.5399998E-02   1.138300    
 C   -3.009900       1.845600     -0.7066000    
 C   -3.234200      -1.229500     -0.2140000    
 C    1.750900       2.491800       1.602000    
 C    1.947400      -1.724800     -0.1868000    
 C   -3.439000      -2.433500      0.6943000    
 H  -0.8261000       2.162100      0.8649000    
 H  -0.4298000       2.553900     -0.7993000    
 H   -1.619500      0.5226000      -1.568600    
 H    1.995100       2.575700     -0.5270000    
 H    2.849600       1.255300      0.2515000    
 H   -2.411300      2.8100001E-02   1.338900    
 H   -1.288300     -0.9737000      0.3890000    
 H   -3.854600       1.343300      -1.186900    
 H   -3.341900       2.215400      0.2694000    
 H   -2.757800       2.711800      -1.328300    
 H   -2.967500      -1.573800      -1.219900    
 H   -4.184400     -0.6916000     -0.2933000    
 H   0.8474000       3.099100       1.687900    
 H    1.803200       1.797100       2.444300    
 H    2.590500       3.184400       1.739900    
 H    2.004200      -1.348600      -2.204500    
 H    1.438100      -1.859500       1.797900    
 H   -3.731800      -2.120000       1.701400    
 H   -2.523700      -3.029200      0.7715000    
 H   -4.229200      -3.077500      0.2959000    


%chk=000048809-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048809

0 1
O 0.813256 0.670692 -2.374268
O 0.368645 0.319720 2.448653
O 2.369616 -3.040695 -0.051898
N 1.586225 -1.145026 -1.176004
N 1.430558 -1.284120 1.174571
C 0.741927 0.868897 0.074999
C -0.604954 1.655546 0.004441
C -1.850540 0.898517 -0.538659
C 1.959469 1.892780 0.209496
C -2.149933 -0.416594 0.229586
C 1.012547 0.140054 -1.251067
C 0.790943 -0.033051 1.317204
C -3.055435 1.871321 -0.501759
C -3.368611 -1.207543 -0.303106
C 1.871980 2.875840 1.392184
C 1.839084 -1.902813 -0.018496
C -3.504546 -2.594976 0.361143
H -0.817508 2.018831 1.027233
H -0.435576 2.539271 -0.638977
H -1.658418 0.639552 -1.600459
H 1.988564 2.450045 -0.745851
H 2.902717 1.313818 0.277009
H -2.294649 -0.191818 1.306577
H -1.269528 -1.092301 0.171290
H -3.936586 1.448044 -1.014362
H -3.345454 2.099719 0.542321
H -2.807656 2.826269 -1.002009
H -3.274668 -1.329109 -1.402118
H -4.296617 -0.629238 -0.130139
H 1.001683 3.547853 1.301582
H 1.797564 2.354302 2.361027
H 2.780935 3.504992 1.406640
H 1.840945 -1.591899 -2.063203
H 1.548005 -1.842334 2.026781
H -3.606125 -2.500145 1.458795
H -2.614660 -3.221372 0.160248
H -4.390997 -3.138129 -0.014704


