%chk=000127530.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127530

0 1
 I    9.080600      -1.299800      0.2792000    
 O   -1.622500      -1.682300      0.3639000    
 O   0.4834000      -2.502400      0.6181000    
 O    6.574000      0.1247000      -1.812000    
 N   -6.128100     -9.1100000E-02 -0.1513000    
 N    5.903900      0.4519000      0.4209000    
 C   -1.965300      0.6924000     -5.2700002E-02
 C   -4.743200      0.1678000     -0.1175000    
 C  -0.5022000      0.8964000     -6.6999998E-03
 C   -2.474000     -0.5902000      0.1342000    
 C   0.3020000     -0.1666000      0.2159000    
 C   -3.843200     -0.8677000      0.1055000    
 C   -7.071500      0.9849000     -0.3845000    
 C   -6.628400      -1.439600      3.2400001E-02
 C   -2.892600       1.722200     -0.2759000    
 C   -4.268200       1.462400     -0.3080000    
 C    1.753000     -6.0000001E-03  0.2691000    
 C  -0.2471000      -1.536900      0.4159000    
 C   5.2000000E-03   2.304300     -0.2155000    
 C   -7.318100       1.750900      0.9010000    
 C   -6.523100      -2.217200      -1.265300    
 C    2.374200      0.2695000       1.483700    
 C    2.505300     -0.1296000     -0.8954000    
 C    4.518000      0.3000000      0.3699000    
 C    3.759700      0.4229000       1.534200    
 C    3.890700      2.3700001E-02 -0.8450000    
 C    6.824500      0.3648000     -0.6336000    
 C    8.252900      0.5904000     -0.1803000    
 H   -4.142000      -1.897800      0.2641000    
 H   -6.764200       1.647100      -1.201800    
 H   -8.030900      0.5701000     -0.7203000    
 H   -6.141300      -1.962900      0.8628000    
 H   -7.687200      -1.404500      0.3211000    
 H   -2.571700       2.749100     -0.4310000    
 H   -4.911200       2.316700     -0.4902000    
 H    1.093000       2.400500     -0.1723000    
 H  -0.3942000       2.972900      0.5553000    
 H  -0.2983000       2.678000      -1.199900    
 H   -7.707300       1.087500       1.681300    
 H   -6.415300       2.224800       1.295900    
 H   -8.060000       2.538100      0.7318000    
 H   -7.087200      -1.722400      -2.063800    
 H   -5.492300      -2.327400      -1.613300    
 H   -6.939500      -3.221500      -1.135500    
 H    1.796400      0.3677000       2.399400    
 H    2.029100     -0.3450000      -1.849000    
 H    4.235200      0.6376000       2.487900    
 H    4.408100     -8.5400000E-02  -1.787600    
 H    6.283000      0.6472000       1.344900    
 H    8.279300       1.262100      0.6839000    
 H    8.799300       1.083700     -0.9909000    


%chk=000127530-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127530

0 1
I 9.173448 -0.178529 1.616407
O -1.667286 -1.625778 0.578062
O 0.404369 -2.510304 0.960860
O 6.635195 1.294030 -1.698866
N -6.179506 -0.063982 -0.173912
N 6.094747 0.170434 0.301491
C -1.957107 0.733038 -0.025314
C -4.809648 0.188668 -0.126680
C -0.518368 0.930105 0.033596
C -2.503485 -0.556777 0.243282
C 0.327968 -0.154778 0.309690
C -3.874802 -0.840886 0.195599
C -7.148889 0.961782 -0.613792
C -6.737579 -1.376262 0.217956
C -2.904621 1.750453 -0.347968
C -4.278396 1.501469 -0.398718
C 1.818218 -0.063542 0.296209
C -0.226642 -1.481634 0.636030
C 0.010811 2.337858 -0.169054
C -7.626780 1.889829 0.527721
C -6.767048 -2.405305 -0.936335
C 2.600107 -0.583713 1.364323
C 2.507346 0.518954 -0.801994
C 4.670236 0.113804 0.248175
C 4.001487 -0.489438 1.346248
C 3.912541 0.616171 -0.840704
C 6.961703 0.723995 -0.610014
C 8.468552 0.653517 -0.332761
H -4.180915 -1.868882 0.398051
H -6.711440 1.556050 -1.436569
H -8.018941 0.434427 -1.047955
H -6.166321 -1.776629 1.075289
H -7.766421 -1.205559 0.586760
H -2.550724 2.763229 -0.564582
H -4.950821 2.329649 -0.635495
H 1.071953 2.419672 0.105722
H -0.561163 3.052964 0.450033
H -0.093632 2.663444 -1.222016
H -8.110373 1.305809 1.331402
H -6.780830 2.440866 0.973745
H -8.360910 2.624721 0.148576
H -7.375706 -2.032570 -1.779985
H -5.751064 -2.609824 -1.315602
H -7.206245 -3.359388 -0.591155
H 2.104400 -1.070454 2.208060
H 1.932498 0.880633 -1.661711
H 4.582105 -0.892542 2.185864
H 4.422134 1.062101 -1.696577
H 6.528881 -0.248026 1.132708
H 8.887521 1.669605 -0.374757
H 8.950148 0.023524 -1.096341


