%chk=000050294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050294

0 1
 O    2.545900      0.6688000      9.0800002E-02
 O   -2.205700      -3.565400     -6.7500003E-02
 O    2.856100      -3.389600     -0.1162000    
 O   -5.011100      0.6324000      -1.474900    
 O   -5.534700      0.5825000      0.7508000    
 O    4.601100       2.165300      0.1508000    
 O    6.104000      0.4443000      5.2800000E-02
 N   -2.308600      0.5063000      0.1413000    
 C   -1.038000     -0.1337000      8.7300003E-02
 C   0.1832000      0.5679000      0.1079000    
 C  -0.9664000      -1.543500     -3.9999999E-04
 C   0.2863000       2.056200      0.2768000    
 C    1.410200     -0.1040000      6.3100003E-02
 C    1.447000      -1.492400     -8.3999997E-03
 C   0.2610000      -2.221700     -4.2700000E-02
 C   -2.312200       1.947900      0.3949000    
 C   -3.456500     -0.2610000     -3.4299999E-02
 C   0.2545000       2.787600      -1.068200    
 C   -2.214900      -2.341000     -5.8600001E-02
 C   -3.490700      -1.597300     -0.1285000    
 C    2.753200      -2.172300     -5.3700000E-02
 C   -2.378200       2.215500       1.886300    
 C   0.3272000       4.295500     -0.8878000    
 C    3.764300      2.4700001E-02  4.9500000E-02
 C    3.944300      -1.299800     -1.8200001E-02
 C   -4.782800      0.3605000     -0.1755000    
 C    4.961500      0.8664000      8.2699999E-02
 H  -0.2711000       2.514200       1.081900    
 H    1.272600       2.301200      0.6994000    
 H   0.2895000      -3.306100     -0.1072000    
 H   -1.778500       2.631200     -0.2336000    
 H   -3.302600       2.301400      6.5099999E-02
 H    1.140200       2.486800      -1.645800    
 H  -0.5867000       2.514700      -1.715300    
 H   -4.403300      -2.167200     -0.2630000    
 H   -3.331500       1.866500       2.301000    
 H   -1.592100       1.709000       2.455700    
 H   -2.316200       3.290800       2.084200    
 H  -0.5405000       4.672300     -0.3376000    
 H    1.231300       4.583100     -0.3414000    
 H   0.3516000       4.792000      -1.863000    
 H    4.915500      -1.779600     -4.9699999E-02
 H   -5.887400       1.049900      -1.616500    
 H    5.378700       2.763000      0.1749000    


%chk=000050294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050294

0 1
O 2.551229 0.662125 0.173416
O -2.141450 -3.633329 -0.532402
O 2.838858 -3.478891 -0.267190
O -5.808488 -0.321273 -0.775013
O -5.289709 1.124152 0.954439
O 4.593929 2.261635 0.389259
O 6.146174 0.532809 0.233184
N -2.390712 0.510812 0.097621
C -1.084860 -0.073767 0.040791
C 0.156978 0.669493 0.148551
C -1.010395 -1.513963 -0.152770
C 0.400173 2.179796 0.262518
C 1.356221 -0.094580 0.078499
C 1.435595 -1.504837 -0.081112
C 0.220638 -2.189325 -0.201309
C -2.603985 1.977960 0.317324
C -3.529351 -0.301358 -0.064333
C 0.540986 2.875100 -1.123981
C -2.216567 -2.372086 -0.339673
C -3.477349 -1.662191 -0.301175
C 2.742247 -2.217817 -0.132263
C -2.586058 2.377349 1.806043
C 0.881519 4.372700 -0.977508
C 3.779753 0.012548 0.131129
C 3.919753 -1.344452 -0.010942
C -4.909345 0.276912 0.111739
C 4.957308 0.923121 0.252554
H -0.352511 2.694793 0.871303
H 1.357089 2.329183 0.789259
H 0.211417 -3.274691 -0.346552
H -1.854741 2.518623 -0.271445
H -3.577289 2.247983 -0.115309
H 1.340124 2.365677 -1.694249
H -0.388493 2.752656 -1.716606
H -4.399965 -2.224912 -0.445922
H -3.474560 1.973686 2.315154
H -1.683609 2.008286 2.323162
H -2.609955 3.479149 1.895728
H 0.090498 4.916032 -0.426186
H 1.829715 4.503127 -0.423803
H 0.995512 4.854729 -1.965086
H 4.920887 -1.781238 -0.036529
H -6.728227 -0.000192 -0.566850
H 5.420517 2.811764 0.465739


