%chk=000055209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055209

1 1
 O  -0.4891000      0.3924000      -1.205500    
 N   -2.929000     -0.3407000     -2.0999999E-03
 N   0.6204000      2.6100000E-02  0.8332000    
 C   -2.622000      -1.753700     -0.4765000    
 C   -4.185500     -0.3553000      0.8565000    
 C   -1.760000      0.1842000      0.8188000    
 C   -3.148600      0.5625000      -1.207400    
 C   -3.787500      -2.269900      -1.291700    
 C   -3.961100      -1.254400       2.052600    
 C  -0.4838000      0.2187000      8.7000001E-03
 C   -3.443800       1.920500     -0.7577000    
 C    1.983700     -8.1000002E-03  0.4548000    
 C    2.562200      -1.217000      9.7900003E-02
 C    2.718300       1.168400      0.4482000    
 C    3.906200      -1.250100     -0.2741000    
 C    4.062100       1.135200      7.5900003E-02
 C    4.656100     -7.4000001E-02 -0.2854000    
 C   -3.686600       3.038100     -0.3926000    
 C    1.785100      -2.493500      9.9200003E-02
 C    2.110200       2.479400      0.8302000    
 C    6.092800     -0.1091000     -0.6830000    
 H   -1.739000      -1.722000      -1.122900    
 H   -2.371600      -2.396700      0.3708000    
 H   -4.366000      0.6601000       1.226500    
 H   -5.055700     -0.6436000      0.2615000    
 H   -1.988200       1.177300       1.217200    
 H   -1.595700     -0.5043000       1.651800    
 H   -2.388100      0.4699000      -1.978300    
 H   -4.073600      0.2263000      -1.690800    
 H   -3.537900      -3.286900      -1.621200    
 H   -4.718400      -2.376200     -0.7313000    
 H   -3.972200      -1.715200      -2.214200    
 H   -4.889500      -1.260800       2.639000    
 H   -3.778600      -2.302100       1.807200    
 H   -3.199100     -0.8980000       2.748900    
 H   0.4735000      0.1063000       1.837300    
 H    4.374300      -2.190600     -0.5555000    
 H    4.651500       2.049100      6.7000002E-02
 H    1.323900      -2.663600       1.077900    
 H    1.004500      -2.465000     -0.6680000    
 H    2.422100      -3.359700     -0.1104000    
 H    2.851500       3.285900      0.8404000    
 H    1.329300       2.760500      0.1160000    
 H    1.679200       2.425900       1.835500    
 H   -3.901600       4.029100     -6.7599997E-02
 H    6.284300     -0.9104000      -1.404800    
 H    6.393800      0.8296000      -1.160600    
 H    6.722400     -0.2725000      0.1973000    


%chk=000055209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055209

1 1
O -0.322534 -1.016704 -1.014641
N -2.985900 -0.556177 0.064014
N 0.660270 -0.016696 0.864662
C -3.106470 -1.990781 -0.541396
C -4.230333 -0.189747 0.920604
C -1.731964 -0.488263 0.950284
C -2.888362 0.485096 -1.097291
C -4.343423 -2.231419 -1.411503
C -4.500946 -1.109695 2.115646
C -0.398425 -0.523563 0.154017
C -2.630647 1.842634 -0.614386
C 2.037669 0.036235 0.414572
C 2.738814 -1.150486 0.064648
C 2.663986 1.315812 0.388868
C 4.087947 -1.017341 -0.343341
C 4.014295 1.390358 -0.015343
C 4.745589 0.235118 -0.390170
C -2.410493 3.008626 -0.284992
C 2.097859 -2.521736 0.129706
C 1.899469 2.572070 0.771466
C 6.202202 0.335157 -0.801180
H -2.171611 -2.133016 -1.107082
H -3.098422 -2.675367 0.323396
H -4.067331 0.852046 1.246155
H -5.084053 -0.192739 0.223659
H -1.808571 0.436124 1.547875
H -1.775946 -1.354642 1.631443
H -2.077934 0.133216 -1.758384
H -3.848779 0.440236 -1.636720
H -4.295048 -3.278221 -1.760781
H -5.297235 -2.120915 -0.868512
H -4.368760 -1.603972 -2.318113
H -5.409611 -0.738313 2.621511
H -4.702046 -2.153398 1.821765
H -3.692550 -1.096461 2.865348
H 0.455138 0.475540 1.740657
H 4.641556 -1.922085 -0.621614
H 4.504670 2.370502 -0.048254
H 1.497970 -2.651289 1.050413
H 1.420966 -2.678956 -0.730408
H 2.865258 -3.312761 0.113383
H 2.499337 3.471727 0.559450
H 0.949223 2.659532 0.210827
H 1.654866 2.601429 1.853566
H -2.227826 4.033687 -0.008611
H 6.478474 -0.459783 -1.514815
H 6.426856 1.309005 -1.269108
H 6.868006 0.232474 0.077408


