%chk=000096698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096698

0 1
 O    4.913900      0.5892000      0.6736000    
 O   -4.914800      0.5866000     -0.6726000    
 N    1.444300     -0.5003000     -6.1799999E-02
 N   -1.444200     -0.5001000      6.2399998E-02
 C   0.6972000      0.7061000      0.3148000    
 C   0.6975000      -1.705600      0.3187000    
 C  -0.6976000      0.7046000     -0.3202000    
 C  -0.6978000      -1.706500     -0.3151000    
 C    2.773100     -0.4990000      0.5467000    
 C   -2.773800     -0.5013000     -0.5442000    
 C    3.620500      0.6863000      7.7900000E-02
 C   -3.620500      0.6860000     -7.9099998E-02
 C    3.810900      0.7240000      -1.433100    
 C   -3.808800      0.7300000       1.432000    
 H    1.190900       1.613300     -4.6500001E-02
 H   0.6080000      0.7894000       1.406500    
 H   0.6064000      -1.781500       1.410900    
 H    1.232600      -2.598400     -2.7100001E-02
 H   -1.191500       1.613500      3.6699999E-02
 H  -0.6085000      0.7827000      -1.412300    
 H  -0.6068000      -1.785500      -1.407100    
 H   -1.232600      -2.598400      3.3300001E-02
 H    2.711600     -0.4942000       1.643700    
 H    3.303800      -1.424800      0.2857000    
 H   -2.717100     -0.4994000      -1.641500    
 H   -3.301100      -1.427700     -0.2785000    
 H    3.211500       1.642400      0.4170000    
 H   -3.213800       1.638300     -0.4298000    
 H    4.265200     -0.2059000      -1.793000    
 H    4.497400       1.532100      -1.708800    
 H    2.867500      0.8818000      -1.963600    
 H   -2.865400      0.9008000       1.958600    
 H   -4.251300     -0.2022000       1.800500    
 H   -4.502600       1.533000       1.704900    
 H    4.794100      0.5971000       1.638700    
 H   -5.320900     -0.2440000     -0.3711000    


%chk=000096698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096698

0 1
O 5.099979 0.630568 0.610168
O -5.070335 0.740594 -0.639213
N 1.449475 -0.268341 0.046843
N -1.456966 -0.267690 -0.031794
C 0.668697 0.949218 0.378951
C 0.666111 -1.485066 0.377798
C -0.675935 0.949738 -0.366475
C -0.674470 -1.481940 -0.374886
C 2.802557 -0.273354 0.645313
C -2.812876 -0.263267 -0.632683
C 3.808418 0.629523 -0.112572
C -3.815827 0.630396 0.139493
C 4.107134 0.124320 -1.523131
C -4.072405 0.134337 1.569131
H 1.244387 1.844733 0.083239
H 0.471246 1.013774 1.479984
H 0.457991 -1.555449 1.475715
H 1.252203 -2.374272 0.080165
H -1.251634 1.845474 -0.071269
H -0.481284 1.014260 -1.467035
H -0.467269 -1.543274 -1.473174
H -1.259023 -2.374724 -0.084034
H 2.777365 0.038838 1.725121
H 3.199131 -1.305973 0.619554
H -2.805267 0.070489 -1.699152
H -3.196293 -1.304504 -0.620167
H 3.413958 1.668365 -0.161889
H -3.449708 1.671850 0.161744
H 4.608419 -0.858929 -1.469626
H 4.773999 0.823428 -2.055881
H 3.162585 0.015175 -2.083223
H -3.116098 0.061060 2.116050
H -4.531249 -0.875075 1.556836
H -4.751674 0.819018 2.105788
H 4.948787 0.946852 1.538272
H -5.546830 -0.127753 -0.586761


