%chk=000055287.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055287

0 1
 O   -1.758700     -0.7406000      -1.049300    
 O   -5.128600      0.2054000      -1.341600    
 O   -5.887000      -1.888100     -0.9485000    
 O    1.049700       2.373300       2.154800    
 O    1.023300       3.593700      0.2446000    
 N   -4.067300      -1.070100      0.2373000    
 N  -0.2294000       1.484200      -1.010800    
 C   -3.211600      3.0700000E-02  0.6670000    
 C   -2.606400     -0.4491000       1.982300    
 C   -2.576400      -1.968900       1.828400    
 C   -3.840900      -2.264300       1.037800    
 C   -2.163400      0.2164000     -0.3884000    
 C   -1.611700       1.622600     -0.5676000    
 C   0.6494000       1.191200      0.1126000    
 C   -5.086000     -0.9933000     -0.6960000    
 C   -2.418000       2.413900      -1.589900    
 C    1.944200      0.5538000     -0.4106000    
 C    2.954400      0.1739000      0.6834000    
 C   0.9316000       2.510600      0.8095000    
 C    4.193600     -0.5222000      0.1764000    
 C    4.219900      -1.913200      7.4900001E-02
 C    5.312600      0.2251000     -0.1911000    
 C    5.365100      -2.556800     -0.3939000    
 C    6.457800     -0.4186000     -0.6599000    
 C    6.484000      -1.809600     -0.7613000    
 H   -3.804800      0.9438000      0.7749000    
 H   -1.618900     -3.3599999E-02   2.198700    
 H   -3.274500     -0.1858000       2.811700    
 H   -2.549900      -2.492500       2.788100    
 H   -1.691800      -2.269300       1.254600    
 H   -4.705900      -2.394200       1.697600    
 H   -3.753500      -3.145800      0.3959000    
 H   -1.669700       2.154100      0.3900000    
 H   8.8200003E-02   2.320800      -1.499200    
 H   0.1845000      0.4967000      0.8204000    
 H   -2.440300       1.907900      -2.561900    
 H   -2.002100       3.417100      -1.733400    
 H   -3.455900       2.526900      -1.259300    
 H    1.691100     -0.3480000     -0.9850000    
 H    2.437600       1.237600      -1.115600    
 H    2.463000     -0.4699000       1.424600    
 H    3.263600       1.070100       1.235700    
 H   -5.855600      0.2397000      -1.999300    
 H    3.353500      -2.506000      0.3561000    
 H    5.303400       1.309400     -0.1187000    
 H    1.221300       3.232200       2.596500    
 H    5.385400      -3.639800     -0.4735000    
 H    7.329000      0.1632000     -0.9467000    
 H    7.375700      -2.310700      -1.126600    


%chk=000055287-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055287

0 1
O -1.645859 -0.977283 -0.475628
O -4.941602 -0.049958 -1.671610
O -5.864017 -2.099958 -0.983440
O -0.036714 1.943920 2.251043
O 1.887555 2.862989 1.329486
N -4.377462 -0.909426 0.384137
N -0.081955 1.368484 -0.811865
C -3.476747 0.235377 0.610679
C -3.153839 0.115231 2.135866
C -3.205856 -1.414832 2.388219
C -4.363896 -1.904721 1.487033
C -2.162787 0.132861 -0.201206
C -1.520916 1.487412 -0.572278
C 0.825867 0.871017 0.238579
C -5.110373 -1.119320 -0.747782
C -2.204753 2.016896 -1.862562
C 2.175901 0.452188 -0.374321
C 3.148182 -0.187776 0.653849
C 1.011277 1.969912 1.300827
C 4.461200 -0.600400 0.003663
C 4.616098 -1.887360 -0.573141
C 5.544252 0.312734 -0.079460
C 5.819695 -2.253945 -1.216990
C 6.749993 -0.049170 -0.721742
C 6.891767 -1.334792 -1.294245
H -3.981624 1.187844 0.372240
H -2.182291 0.566517 2.398472
H -3.945160 0.632527 2.708837
H -3.373602 -1.659270 3.450185
H -2.260046 -1.882708 2.065632
H -5.337534 -1.896989 2.013919
H -4.202001 -2.918054 1.083537
H -1.771656 2.189643 0.262168
H 0.318079 2.113848 -1.391136
H 0.350529 -0.002847 0.716512
H -1.951612 1.357365 -2.709720
H -1.850166 3.040884 -2.083629
H -3.301570 2.038448 -1.758563
H 1.957925 -0.265338 -1.185268
H 2.666262 1.335225 -0.829518
H 2.655916 -1.069328 1.110183
H 3.344953 0.539568 1.463923
H -5.482243 -0.271869 -2.472757
H 3.789503 -2.606857 -0.514230
H 5.439982 1.310401 0.365476
H 0.077513 2.709290 2.879978
H 5.922775 -3.253951 -1.653865
H 7.577863 0.667439 -0.773070
H 7.826798 -1.617967 -1.790716


