%chk=000129319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129319

0 1
 O    2.189900       1.582300       1.214800    
 O   0.7261000      -1.652600      0.5074000    
 N   -2.762500      0.5680000      0.3974000    
 N    3.035800      -1.810200      0.6740000    
 N    1.951200      -2.764800      -1.121400    
 C   -4.032700      0.6017000       1.135900    
 C   -2.772000     -0.4848000     -0.6279000    
 C   -4.310000     -0.7389000       1.817700    
 C   -3.007900      -1.861100     -3.5000001E-03
 C   -4.294500      -1.885800      0.8135000    
 C   -2.489000       1.870500     -0.2093000    
 C   -1.019900       2.069600     -0.4717000    
 C  -8.4200002E-02   1.730000      0.5055000    
 C  -0.5945000       2.593700      -1.692400    
 C    1.276800       1.914300      0.2619000    
 C   0.7665000       2.778000      -1.936100    
 C    1.702100       2.438300     -0.9589000    
 C    3.475400       1.158900      0.7631000    
 C    4.040700      0.1568000       1.762300    
 C    3.172100      -1.085800       1.908000    
 C    1.804000      -2.041000      5.8899999E-02
 C   0.8380000      -3.143400      -1.960700    
 C   0.3887000      -1.993600      -2.838500    
 H   -4.865800      0.8558000      0.4672000    
 H   -3.991900       1.372800       1.914900    
 H   -1.811800     -0.5150000      -1.151800    
 H   -3.546600     -0.2908000      -1.381800    
 H   -3.553400     -0.9207000       2.591600    
 H   -5.281800     -0.7033000       2.323100    
 H   -3.054700      -2.621700     -0.7911000    
 H   -2.160100      -2.122000      0.6424000    
 H   -4.390800      -2.844200       1.335100    
 H   -5.156800      -1.795700      0.1415000    
 H   -2.776500       2.680000      0.4761000    
 H   -3.084700       2.018700      -1.119700    
 H  -0.3993000       1.330300       1.466300    
 H   -1.312500       2.864200      -2.462000    
 H    1.096800       3.192400      -2.884100    
 H    2.749100       2.626100      -1.177600    
 H    3.438000      0.6845000     -0.2255000    
 H    4.135000       2.032600      0.7114000    
 H    5.050900     -0.1300000       1.447100    
 H    4.124700      0.6334000       2.746300    
 H    2.187100     -0.8264000       2.309900    
 H    3.641600      -1.770900       2.622300    
 H    3.870100      -2.207400      0.2532000    
 H    2.886300      -3.029900      -1.415000    
 H    1.156800      -3.992300      -2.573200    
 H   1.1700000E-02  -3.468600      -1.319700    
 H   0.1226000      -1.114400      -2.244900    
 H    1.189400      -1.693700      -3.523000    
 H  -0.4807000      -2.284000      -3.435900    


%chk=000129319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129319

0 1
O 2.059185 1.381044 1.202187
O 0.771773 -2.027850 0.379599
N -2.895075 0.704192 0.454848
N 3.115081 -1.943205 0.544614
N 2.089254 -2.886946 -1.353954
C -4.274430 0.680874 0.997765
C -2.587510 -0.518867 -0.333071
C -4.492833 -0.551858 1.898734
C -2.765794 -1.789928 0.519380
C -4.185858 -1.854652 1.124516
C -2.602359 1.949345 -0.287897
C -1.109578 2.174776 -0.519564
C -0.170204 1.714159 0.425845
C -0.653090 2.852543 -1.680508
C 1.212066 1.907459 0.208734
C 0.728321 3.061669 -1.880789
C 1.676666 2.588236 -0.944197
C 3.448761 1.074081 0.828740
C 3.958111 0.044022 1.842612
C 3.121104 -1.257762 1.844639
C 1.919377 -2.268843 -0.110943
C 0.924933 -3.225764 -2.189238
C 0.534025 -2.104048 -3.176867
H -5.038024 0.666578 0.172451
H -4.436978 1.609981 1.577738
H -1.542216 -0.459210 -0.682609
H -3.250746 -0.577317 -1.239073
H -3.817307 -0.475537 2.772759
H -5.534626 -0.553191 2.274864
H -2.565183 -2.678010 -0.110451
H -2.003427 -1.785038 1.319749
H -4.287181 -2.733337 1.790018
H -4.929892 -1.977818 0.309091
H -3.004659 2.792205 0.311414
H -3.130346 1.987004 -1.277238
H -0.512727 1.157413 1.302705
H -1.376283 3.202947 -2.426855
H 1.076606 3.589442 -2.776340
H 2.745545 2.755331 -1.112053
H 3.471363 0.653334 -0.197128
H 4.065047 1.996285 0.856208
H 5.023671 -0.172266 1.620234
H 3.921086 0.480682 2.858884
H 2.068622 -1.020649 2.070650
H 3.495970 -1.935048 2.638609
H 3.998728 -2.309990 0.186843
H 3.014016 -2.910622 -1.786453
H 1.141647 -4.165445 -2.732355
H 0.087296 -3.418045 -1.497507
H 0.291342 -1.179109 -2.625055
H 1.353991 -1.882963 -3.885795
H -0.354456 -2.400382 -3.765389


