%chk=000047976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047976

0 1
 O  -0.3184000      -1.062700      1.9999999E-04
 N   -6.564200      4.5400001E-02 -1.9999999E-04
 N    6.072200     -0.4985000     -1.9999999E-04
 N    5.319600       1.713900      2.7000001E-03
 C    1.283700      0.5302000     -5.0000002E-04
 C    1.025500     -0.8368000      9.9999997E-05
 C  -0.9227000      0.1540000     -1.9999999E-04
 C   1.2600000E-02   1.162800     -6.0000003E-04
 C   -2.358200      0.1263000       0.000000    
 C    2.621900      0.9609000     -1.0000000E-03
 C    3.638900     -3.7000000E-03 -7.9999998E-04
 C    2.014500      -1.818900      3.0000001E-04
 C    3.338000      -1.368100       0.000000    
 C   -3.085500       1.320500     -3.0000001E-04
 C   -3.039000      -1.094900      3.9999999E-04
 C   -4.480100       1.293700     -9.9999997E-05
 C   -4.433700      -1.121800      6.0000003E-04
 C   -5.154100      7.2499998E-02  3.9999999E-04
 C    5.029200      0.4253000     -8.9999998E-04
 H  -0.1797000       2.226800     -1.1000000E-03
 H    2.833700       2.025600     -1.6000000E-03
 H    1.772400      -2.875100      7.9999998E-04
 H    4.104200      -2.136500      3.9999999E-04
 H   -2.590300       2.288100     -6.0000003E-04
 H   -2.514200      -2.047100      5.0000002E-04
 H   -5.030600       2.231000     -3.9999999E-04
 H   -4.947800      -2.079600      7.9999998E-04
 H   -7.087200      0.9109000      1.1000000E-03
 H   -7.053500     -0.8398000      1.7000000E-03
 H    5.941300      -1.502000     -2.6000000E-03
 H    7.035400     -0.1788000      1.4000000E-03
 H    6.340800       1.814100      3.7000000E-03


%chk=000047976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047976

0 1
O -0.306402 -1.189950 0.000623
N -6.658559 0.123175 -0.000242
N 6.158130 -0.449036 -0.002466
N 5.308850 1.805368 0.003520
C 1.327799 0.459801 0.000124
C 1.080294 -0.947276 0.000633
C -0.938415 0.095178 0.000108
C 0.025288 1.098041 -0.000203
C -2.395774 0.098806 0.000036
C 2.664699 0.914646 0.000061
C 3.719146 -0.031742 0.000404
C 2.093136 -1.911513 0.001175
C 3.422215 -1.431819 0.001110
C -3.124468 1.322642 -0.000386
C -3.136992 -1.117438 0.000401
C -4.526615 1.335977 -0.000437
C -4.540490 -1.115087 0.000353
C -5.265640 0.113630 -0.000062
C 5.128121 0.497070 0.000106
H -0.167370 2.168673 -0.000606
H 2.933204 1.974684 -0.000275
H 1.867810 -2.981433 0.001787
H 4.222632 -2.180294 0.002194
H -2.584521 2.276287 -0.000662
H -2.592956 -2.067007 0.000743
H -5.062856 2.293008 -0.000777
H -5.087240 -2.066236 0.000630
H -7.174693 0.998092 0.000051
H -7.185364 -0.745372 0.000617
H 5.982702 -1.449408 -0.006070
H 7.126859 -0.137719 -0.001903
H 6.312169 2.083951 0.003413


