%chk=000048897.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048897

0 1
 O   -1.228300      -1.128200      -1.814300    
 N   0.6879000     -0.1945000      0.1271000    
 C  -0.7533000     -0.1883000      0.3758000    
 C   -1.448100      -1.303400     -0.4153000    
 C    1.275100      -1.463200      0.5564000    
 C    1.330100      0.9248000      0.8152000    
 C   -2.940700      -1.310400     -0.1685000    
 C    2.745700      -1.530100      0.2614000    
 C   0.7521000       2.246500      0.3989000    
 C   -3.450500      -2.069800      0.8707000    
 C   -3.764900     -0.5571000     -0.9867000    
 C    3.179900      -2.037500     -0.9576000    
 C    1.303200       2.928800     -0.6795000    
 C    3.658400      -1.083300       1.209800    
 C  -0.3285000       2.774500       1.095700    
 C   -4.826600      -2.076300       1.098600    
 C   -5.141000     -0.5635000     -0.7587000    
 C    4.546100      -2.099500      -1.232000    
 C   0.7661000       4.156600      -1.066500    
 C    5.024600      -1.145200      0.9354000    
 C  -0.8655000       4.002300      0.7085000    
 C   -5.671800      -1.323100      0.2839000    
 C    5.468400      -1.653400     -0.2856000    
 C  -0.3181000       4.693300     -0.3726000    
 H  -0.9802000     -0.2772000       1.446500    
 H   -1.206900      0.7341000      2.9000000E-03
 H   -1.087300      -2.302200     -0.1558000    
 H   0.8411000      -2.323800      4.0100001E-02
 H    1.103900      -1.642200       1.627400    
 H    2.396300      0.9934000      0.5785000    
 H    1.258900      0.8242000       1.907500    
 H   -2.799900      -2.657300       1.512100    
 H   -3.376000      5.5300001E-02  -1.794700    
 H    2.471300      -2.385100      -1.704400    
 H    2.145900       2.520000      -1.230200    
 H    3.330400     -0.6997000       2.172000    
 H  -0.7569000       2.257000       1.949600    
 H   -1.647400      -1.873300      -2.278600    
 H   -5.239800      -2.666900       1.911000    
 H   -5.799300      2.5900001E-02  -1.390300    
 H    4.891800      -2.494500      -2.182900    
 H    1.191700       4.694400      -1.908700    
 H    5.743100     -0.8011000       1.673600    
 H   -1.707800       4.422000       1.250800    
 H   -6.743200      -1.327100      0.4621000    
 H    6.532200      -1.702200     -0.4990000    
 H  -0.7360000       5.649500     -0.6736000    


%chk=000048897-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048897

0 1
O -1.036751 -0.606524 -1.687611
N 0.576822 -0.133751 0.716152
C -0.886377 -0.307849 0.717505
C -1.397640 -1.244225 -0.404124
C 1.336886 -1.296351 1.220006
C 1.049494 1.145197 1.287238
C -2.903636 -1.463814 -0.292116
C 2.748567 -1.383340 0.641919
C 0.646463 2.386068 0.493554
C -3.422053 -2.680006 0.215946
C -3.803894 -0.437118 -0.679154
C 2.978048 -1.072621 -0.722550
C 0.392659 2.323664 -0.899712
C 3.833871 -1.820408 1.439817
C 0.578010 3.641979 1.148250
C -4.817300 -2.869024 0.344147
C -5.197438 -0.625476 -0.554491
C 4.270117 -1.200690 -1.277204
C 0.089384 3.499973 -1.621890
C 5.128449 -1.952582 0.885308
C 0.281729 4.819336 0.425132
C -5.708684 -1.841341 -0.040795
C 5.350178 -1.643511 -0.476218
C 0.037944 4.752411 -0.966611
H -1.272673 -0.705675 1.689605
H -1.354343 0.680162 0.563841
H -0.887776 -2.229842 -0.327633
H 0.782826 -2.211412 0.933729
H 1.394847 -1.309949 2.338505
H 2.156425 1.089523 1.307668
H 0.725271 1.273254 2.352664
H -2.733373 -3.483180 0.508451
H -3.402720 0.499491 -1.082974
H 2.132698 -0.718287 -1.323263
H 0.405364 1.347246 -1.395072
H 3.667603 -2.054268 2.499521
H 0.760452 3.699544 2.229539
H -1.473959 -1.115187 -2.417714
H -5.207572 -3.814722 0.736849
H -5.885287 0.172464 -0.856523
H 4.437646 -0.953932 -2.332094
H -0.108920 3.437880 -2.698434
H 5.961095 -2.288497 1.514160
H 0.236186 5.783260 0.945298
H -6.790544 -1.987398 0.054244
H 6.353442 -1.740530 -0.906757
H -0.195334 5.663257 -1.530109


