%chk=000058734.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058734

0 1
 O   -1.687000       1.971300     -1.4000000E-03
 N  -0.5105000     -9.8700002E-02  8.9999998E-04
 N   -2.745400     -0.1623000      3.9999999E-04
 C   0.8687000      0.3260000      1.4000000E-03
 C    1.584400     -0.1582000       1.265100    
 C    1.580300     -0.1610000      -1.263100    
 C    3.059600      0.2338000       1.260600    
 C    3.056000      0.2294000      -1.264100    
 C    3.766600     -0.2509000     -1.8000000E-03
 C   -1.651600      0.7500000       0.000000    
 C  -0.9193000      -1.410800      2.3000001E-03
 C   -2.257300      -1.449500      1.7000000E-03
 C   -4.144500      0.1810000     -2.0000001E-03
 H   0.8771000       1.423800      3.0000001E-04
 H    1.514800      -1.249200       1.359800    
 H    1.097700      0.2605000       2.154600    
 H    1.091800      0.2562000      -2.152300    
 H    1.510000      -1.252100      -1.355800    
 H    3.555000     -0.1837000       2.144400    
 H    3.146800       1.325100       1.331500    
 H    3.144000       1.320300      -1.339200    
 H    3.548700     -0.1918000      -2.147600    
 H    4.803000      0.1049000     -3.8999999E-03
 H    3.804800      -1.347300      9.9999997E-05
 H  -0.2273000      -2.237000      3.4000000E-03
 H   -2.911700      -2.306000      2.0999999E-03
 H   -4.614400     -0.2358000     -0.8974000    
 H   -4.264900       1.267600     -2.4000001E-03
 H   -4.617500     -0.2357000      0.8918000    


%chk=000058734-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058734

0 1
O -1.612716 1.908088 -0.002978
N -0.535829 -0.251993 0.000544
N -2.771333 -0.206033 0.000727
C 0.863213 0.217279 -0.000595
C 1.616585 -0.227958 1.278171
C 1.615546 -0.230882 -1.278974
C 3.071531 0.300326 1.274106
C 3.070511 0.297319 -1.277354
C 3.829617 -0.139324 -0.001416
C -1.635886 0.639748 -0.000485
C -0.992839 -1.585276 0.002969
C -2.371453 -1.558862 0.002991
C -4.134899 0.316402 -0.000809
H 0.786696 1.323331 -0.001847
H 1.629516 -1.336791 1.328577
H 1.070909 0.133135 2.170097
H 1.069133 0.128235 -2.171251
H 1.628334 -1.339824 -1.326868
H 3.601505 -0.053893 2.179302
H 3.056851 1.408544 1.325384
H 3.055870 1.405403 -1.331307
H 3.599706 -0.059140 -2.182133
H 4.852062 0.285390 -0.002337
H 3.940303 -1.243917 -0.000160
H -0.317890 -2.435677 0.004307
H -3.085010 -2.377461 0.004359
H -4.688063 -0.007427 -0.901423
H -4.064657 1.417073 -0.001705
H -4.689412 -0.005914 0.899506


