%chk=000022675.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022675

0 1
 O   0.6957000      0.8019000      -1.999100    
 N   -1.296900       1.676000     -0.2843000    
 C  -0.5024000      0.5062000      8.8799998E-02
 C  -0.4813000       2.888300     -0.2231000    
 C   -2.464100       1.800500      0.5879000    
 C   -1.341300     -0.7540000      2.7500000E-02
 C   0.7283000      0.4528000     -0.8198000    
 C   1.1600000E-02   3.147600       1.190400    
 C   -3.334300       2.975800      0.1761000    
 C    2.024900     -3.2800000E-02 -0.2650000    
 C   -2.058900      -1.140700       1.145000    
 C   -1.370300      -1.488100      -1.144500    
 C   -2.831400      -2.300600       1.088800    
 C   -2.143000      -2.648000      -1.200800    
 C    2.001600     -0.9617000      0.7506000    
 C    3.195700      0.4659000     -0.7901000    
 C   -2.873500      -3.054300     -8.4100001E-02
 C    3.214100      -1.416100       1.269200    
 C    4.408200      1.1200000E-02 -0.2716000    
 C    4.417200     -0.9298000      0.7582000    
 H  -0.1510000      0.5945000       1.123600    
 H   0.3766000       2.870200     -0.9021000    
 H   -1.045200       3.757200     -0.5807000    
 H   -3.137800      0.9525000      0.4343000    
 H   -2.240200       1.838700       1.659100    
 H  -0.7846000       3.298900       1.923200    
 H   0.7088000       2.393700       1.564300    
 H   0.5798000       4.086800       1.183700    
 H   -2.910100       3.937900      0.4787000    
 H   -3.513700       2.991200     -0.9047000    
 H   -4.312300       2.899400      0.6654000    
 H   -2.020000     -0.5791000       2.073700    
 H  -0.8309000      -1.196700      -2.038600    
 H   -3.396200      -2.619800       1.959800    
 H   -2.179100      -3.233400      -2.115000    
 H    1.089100      -1.374400       1.163100    
 H    3.203800       1.203100      -1.587100    
 H   -3.474800      -3.957600     -0.1277000    
 H    3.221800      -2.151400       2.068600    
 H    5.345300      0.3907000     -0.6684000    
 H    5.361300      -1.284000       1.161700    


%chk=000022675-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022675

0 1
O 0.795501 0.887169 -1.819141
N -1.353304 1.803970 -0.134072
C -0.525888 0.628665 0.232850
C -0.615703 3.095274 -0.200965
C -2.607141 1.851982 0.667388
C -1.266162 -0.695333 -0.043495
C 0.779279 0.529789 -0.606549
C 0.013962 3.603065 1.126295
C -3.623398 2.887785 0.153072
C 2.005508 -0.088601 0.012504
C -1.310594 -1.725170 0.925664
C -1.883961 -0.896335 -1.303839
C -1.973615 -2.942583 0.645770
C -2.548331 -2.109352 -1.582107
C 2.208629 -0.221710 1.413292
C 3.026223 -0.535473 -0.872932
C -2.595066 -3.137305 -0.608943
C 3.402066 -0.786749 1.913054
C 4.211829 -1.107485 -0.374873
C 4.404403 -1.234982 1.022581
H -0.259626 0.636081 1.316923
H 0.166709 2.997039 -0.971215
H -1.321329 3.854380 -0.581315
H -3.069693 0.850833 0.606601
H -2.403396 2.038368 1.753596
H -0.744580 3.739219 1.919279
H 0.788880 2.910347 1.505343
H 0.502269 4.580593 0.956728
H -3.292136 3.928651 0.317690
H -3.798066 2.745466 -0.928246
H -4.585812 2.759477 0.681649
H -0.832619 -1.575513 1.902056
H -1.836990 -0.087741 -2.041076
H -2.007460 -3.733063 1.404038
H -3.026222 -2.257717 -2.557219
H 1.451288 0.129302 2.121551
H 2.859457 -0.418785 -1.948820
H -3.110027 -4.079838 -0.827200
H 3.551708 -0.874626 2.994731
H 4.985775 -1.453776 -1.068484
H 5.328133 -1.676820 1.412833


