%chk=000064268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064268

0 1
 O    1.005500     -0.8105000     -0.3308000    
 O    2.871600      -2.136400       1.247100    
 N    3.958200       1.109800     -0.1644000    
 C   -1.309000     -0.2945000     -0.6205000    
 C   -3.008700     -0.8212000       1.184500    
 C   -2.401400       1.575400      0.6968000    
 C   -3.759000      0.2560000     -0.9666000    
 C   -1.713500      -1.286100      0.4960000    
 C   -1.107700       1.104100      9.7000003E-03
 C   -2.461600     -0.2115000      -1.649300    
 C   -2.784900      0.5715000       1.796500    
 C   -4.135800     -0.7413000      0.1414000    
 C   -3.531400       1.643400     -0.3439000    
 C  -2.0199999E-02 -0.7599000      -1.303200    
 C    2.243500      -1.237200     -0.8898000    
 C    3.302800      -1.250400      0.2101000    
 C    3.550100      0.1269000      0.8301000    
 C    5.227900      0.7227000     -0.7829000    
 C    4.073700       2.439000      0.4394000    
 H   -3.284000      -1.531500       1.972100    
 H   -2.245500       2.566100       1.138300    
 H   -4.566300      0.3103000      -1.705400    
 H  -0.9196000      -1.371700       1.248900    
 H   -1.859100      -2.290100      7.7000000E-02
 H  -0.8149000       1.828700     -0.7611000    
 H  -0.2969000       1.087200      0.7490000    
 H   -2.624000      -1.191100      -2.116900    
 H   -2.199600      0.4836000      -2.457500    
 H   -3.695800      0.9064000       2.308000    
 H   -1.993200      0.5251000       2.554300    
 H   -4.316200      -1.732600     -0.2921000    
 H   -5.070500     -0.4298000      0.6234000    
 H   -4.455500       1.997400      0.1296000    
 H   -3.276900       2.368500      -1.126600    
 H   0.2622000     -6.2199999E-02  -2.101200    
 H  -0.1592000      -1.753600      -1.746600    
 H    2.112800      -2.255900      -1.274200    
 H    2.532700     -0.5838000      -1.720000    
 H    4.229800      -1.680600     -0.1804000    
 H    4.293900      3.3199999E-02   1.633800    
 H    2.629000      0.4588000       1.328500    
 H    2.014800      -1.813400       1.575500    
 H    5.122800     -0.1646000      -1.414300    
 H    6.014600      0.5416000     -4.1299999E-02
 H    5.579200       1.513900      -1.456300    
 H    3.115300       2.750500      0.8699000    
 H    4.331800       3.186000     -0.3195000    
 H    4.833800       2.470000       1.228400    


%chk=000064268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064268

0 1
O 1.005817 -0.817189 -0.405586
O 2.804134 -2.209054 1.114283
N 4.328881 0.997962 -0.217554
C -1.383780 -0.284441 -0.594749
C -3.067369 -0.853537 1.237983
C -2.465963 1.569413 0.783461
C -3.858767 0.272045 -0.892425
C -1.771271 -1.307705 0.514105
C -1.171491 1.112002 0.060257
C -2.560735 -0.185473 -1.612301
C -2.834983 0.538818 1.885508
C -4.227939 -0.757524 0.210006
C -3.627653 1.663821 -0.242947
C -0.118720 -0.734235 -1.345031
C 2.283448 -1.164780 -1.052609
C 3.304304 -1.280260 0.088295
C 3.616001 0.099115 0.722771
C 5.779932 0.730435 -0.283965
C 4.042189 2.429018 0.009419
H -3.325696 -1.591269 2.023404
H -2.296443 2.562377 1.245544
H -4.681598 0.337484 -1.631898
H -0.939470 -1.398923 1.238376
H -1.921562 -2.308724 0.058635
H -0.892070 1.849810 -0.721042
H -0.327407 1.056669 0.773741
H -2.726882 -1.171773 -2.093556
H -2.304158 0.533633 -2.417998
H -3.749712 0.866383 2.419554
H -2.020798 0.477654 2.635371
H -4.415511 -1.751351 -0.244622
H -5.162843 -0.448096 0.719230
H -4.554633 2.004276 0.261044
H -3.385102 2.412831 -1.024030
H 0.128761 -0.003673 -2.148915
H -0.281172 -1.730377 -1.817886
H 2.180225 -2.133292 -1.586320
H 2.596014 -0.368388 -1.758206
H 4.230813 -1.742198 -0.296696
H 4.187758 -0.077116 1.664725
H 2.653807 0.568237 0.999369
H 1.833073 -2.011057 1.205139
H 5.964144 -0.333391 -0.513543
H 6.312094 0.970254 0.671589
H 6.234655 1.333565 -1.090718
H 2.952177 2.601630 -0.033819
H 4.516521 3.032821 -0.786197
H 4.414582 2.809773 0.994304


