%chk=000050958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050958

0 1
 O    5.298900       1.371500      6.0000003E-04
 O    3.537800       2.682100     -3.9999999E-04
 N    4.059000       1.543900      9.9999997E-05
 C  -0.4052000     -0.5599000       0.000000    
 C    1.014800     -0.6597000     -9.9999997E-05
 C   -1.049600      0.7060000     -9.9999997E-05
 C   -1.171100      -1.745800     -9.9999997E-05
 C    1.808800      0.5072000     -1.9999999E-04
 C    1.646400      -1.927400      9.9999997E-05
 C   -2.486500      0.7696000      9.9999997E-05
 C   -3.230200     -0.4365000       0.000000    
 C   -2.566400      -1.667600     -9.9999997E-05
 C  -0.2138000       1.846300     -9.9999997E-05
 C    1.180300       1.752000     -9.9999997E-05
 C  -0.5303000      -2.992300      9.9999997E-05
 C   0.8601000      -3.082900      1.9999999E-04
 C    3.207700      0.3999000     -1.9999999E-04
 C    3.046700      -2.006800      9.9999997E-05
 C    3.821600     -0.8499000     -9.9999997E-05
 C   -3.232000       1.976300      3.9999999E-04
 C   -4.635800     -0.4098000     -1.9999999E-04
 C   -4.629400       1.989000      1.9999999E-04
 C   -5.331900      0.7947000     -9.9999997E-05
 H   -3.150000      -2.588900     -1.9999999E-04
 H  -0.6365000       2.848400       0.000000    
 H    1.602100       2.740900      9.9999997E-05
 H   -1.110600      -3.913100      9.9999997E-05
 H    1.320500      -4.068600      3.0000001E-04
 H    3.546700      -2.973200      1.9999999E-04
 H    4.901700     -0.9735000     -9.9999997E-05
 H   -2.736700       2.943800      6.9999998E-04
 H   -5.206400      -1.337000     -3.9999999E-04
 H   -5.162700       2.935100      3.9999999E-04
 H   -6.417500      0.7979000     -3.0000001E-04


%chk=000050958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050958

0 1
O 5.477637 1.287561 0.000699
O 3.762499 2.774058 -0.000314
N 4.207814 1.556013 0.000032
C -0.416185 -0.560115 0.000003
C 1.025375 -0.635680 -0.000002
C -1.083690 0.708227 0.000029
C -1.201270 -1.785319 -0.000017
C 1.825595 0.576215 -0.000003
C 1.662358 -1.933426 -0.000005
C -2.538063 0.769928 0.000032
C -3.294881 -0.466599 0.000002
C -2.603827 -1.713675 -0.000022
C -0.264592 1.886529 0.000050
C 1.122665 1.835190 0.000026
C -0.522352 -3.062794 -0.000033
C 0.854848 -3.133459 -0.000025
C 3.259369 0.419227 0.000023
C 3.078691 -2.017021 0.000015
C 3.864708 -0.858294 0.000042
C -3.268836 2.001260 0.000063
C -4.729714 -0.423577 -0.000002
C -4.667510 2.016646 0.000062
C -5.408589 0.794359 0.000027
H -3.188223 -2.642335 -0.000043
H -0.735977 2.873271 0.000072
H 1.703712 2.755584 0.000007
H -1.129133 -3.975574 -0.000045
H 1.366424 -4.102183 -0.000030
H 3.558834 -3.001262 0.000007
H 4.955667 -0.910453 0.000074
H -2.734273 2.955201 0.000092
H -5.284027 -1.369368 -0.000027
H -5.201273 2.973119 0.000089
H -6.503279 0.820448 0.000023


