%chk=000003354.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003354

0 1
 O   -2.044300      -1.134700      0.2415000    
 O    1.838000     -4.5899998E-02  0.1650000    
 O  -0.5818000      0.3452000       1.226500    
 O    4.734500      -2.785700     -0.6555000    
 N   -5.549300      3.2800000E-02  0.1589000    
 C   -5.361800       1.306700     -0.5496000    
 C   -6.798500     -0.6241000     -0.2507000    
 C   -6.524900       2.263100     -0.2819000    
 C   -8.008600      0.2693000      2.7000001E-02
 C   -7.861200       1.627800     -0.6486000    
 C   -4.407200     -0.8522000     -6.9200002E-02
 C   -3.129400     -0.2294000      0.4703000    
 C   0.2072000      -1.737900      0.3762000    
 C  -0.8082000     -0.7340000      0.6668000    
 C    1.532300      -1.379600      0.1261000    
 C    2.479700      -2.360300     -0.1492000    
 C    4.165700     -0.4939000     -0.3552000    
 C    3.143400      0.3417000     -8.2599998E-02
 C    3.869600      -1.954700     -0.4079000    
 C  -0.1654000      -3.081800      0.3498000    
 C    2.110400      -3.708000     -0.1772000    
 C    3.307700       1.799900     -1.0200000E-02
 C   0.7849000      -4.065200      7.3600002E-02
 C    5.595500     -0.1096000     -0.6053000    
 C    3.141500       2.578900      -1.155700    
 C    3.629400       2.407000       1.204100    
 C    3.297100       3.963500      -1.087100    
 C    3.784900       3.791500       1.272900    
 C    3.618700       4.569700      0.1272000    
 H   -5.256100       1.144900      -1.630300    
 H   -4.472800       1.841300     -0.2055000    
 H   -6.928900      -1.557600      0.3102000    
 H   -6.771100     -0.8853000      -1.317000    
 H   -6.386000       3.186100     -0.8563000    
 H   -6.533700       2.544800      0.7789000    
 H   -8.120800      0.4097000       1.109700    
 H   -8.921200     -0.2228000     -0.3277000    
 H   -8.685100       2.286500     -0.3531000    
 H   -7.921200       1.503800      -1.736800    
 H   -4.284400      -1.094600      -1.133400    
 H   -4.561800      -1.810800      0.4430000    
 H   -3.217700     -3.7900001E-02   1.546400    
 H   -2.866500      0.6976000     -4.5100000E-02
 H   -1.185000      -3.398500      0.5540000    
 H    2.835600      -4.488500     -0.3893000    
 H   0.4933000      -5.111400      5.6699999E-02
 H    5.906000     -0.4373000      -1.603200    
 H    6.249900     -0.5840000      0.1338000    
 H    5.769800      0.9682000     -0.5486000    
 H    2.890100       2.120900      -2.109400    
 H    3.761600       1.813900       2.105800    
 H    3.167600       4.569600      -1.979000    
 H    4.035200       4.263700       2.218400    
 H    3.739700       5.647700      0.1808000    


%chk=000003354-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003354

0 1
O -2.045070 -1.067959 0.084380
O 2.033366 -0.047771 -0.101601
O -0.506267 0.515561 0.816387
O 4.930587 -2.940738 -0.720115
N -5.578169 0.163883 0.162125
C -5.731989 1.118741 -0.967349
C -6.858409 -0.524445 0.472456
C -6.798354 2.186594 -0.652864
C -7.959262 0.495288 0.831429
C -8.149867 1.520694 -0.308971
C -4.444482 -0.769964 -0.032953
C -3.138241 -0.111574 0.427710
C 0.258181 -1.677088 -0.003411
C -0.741619 -0.621454 0.340762
C 1.644989 -1.378512 -0.162441
C 2.602680 -2.391925 -0.412023
C 4.393566 -0.611659 -0.367622
C 3.391161 0.334967 -0.196564
C 4.042369 -2.042168 -0.522586
C -0.139039 -3.028967 -0.140923
C 2.167062 -3.736291 -0.528155
C 3.481484 1.805985 -0.049139
C 0.803741 -4.052447 -0.402800
C 5.873137 -0.296029 -0.375042
C 4.572064 2.560476 -0.567058
C 2.419186 2.497320 0.607362
C 4.615315 3.960643 -0.403863
C 2.474106 3.895489 0.771088
C 3.573701 4.634343 0.274204
H -6.022244 0.575580 -1.906420
H -4.758228 1.604757 -1.161217
H -6.686356 -1.211105 1.322277
H -7.206563 -1.145937 -0.395504
H -6.905572 2.863957 -1.521808
H -6.454422 2.793649 0.206627
H -7.662998 1.024202 1.757917
H -8.904440 -0.042849 1.037589
H -8.897336 2.284228 -0.022427
H -8.544122 1.002701 -1.208114
H -4.337122 -1.101668 -1.093798
H -4.617797 -1.677826 0.573221
H -3.137596 0.069403 1.516267
H -2.941558 0.847324 -0.083475
H -1.200337 -3.265978 -0.031367
H 2.930074 -4.498881 -0.715448
H 0.465675 -5.088800 -0.498307
H 6.227986 -0.000612 -1.381065
H 6.420739 -1.215995 -0.110863
H 6.133222 0.506937 0.334583
H 5.369290 2.067865 -1.127082
H 1.554710 1.930849 0.967126
H 5.458875 4.525873 -0.814942
H 1.653906 4.409704 1.283690
H 3.612690 5.721727 0.403120


