%chk=000025234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025234

0 1
 O   0.3080000      -1.529700     -0.9078000    
 O    2.988700      0.2012000      -2.074200    
 N   -2.976000     -0.1318000      1.7000001E-02
 C   -1.778000     -0.3199000     -0.7996000    
 C   -3.533200       1.204200     -0.1921000    
 C   -3.973200      -1.155500     -0.2942000    
 C  -0.8817000      -1.371300     -0.1445000    
 C   -2.170200     -0.7152000      -2.223600    
 C   -2.719100       2.243700      0.5740000    
 C   -4.941700      -1.324200      0.8738000    
 C   -3.291500       3.640800      0.3902000    
 C   -5.977200      -2.399800      0.5837000    
 C    1.427800      -1.932900     -0.2289000    
 C    2.573900      -1.138100     -0.2021000    
 C    1.411100      -3.155400      0.4426000    
 C    3.703100      -1.565900      0.4961000    
 C    2.612200      0.1420000     -0.8953000    
 C    2.540300      -3.583200       1.141000    
 C    3.686200      -2.788600       1.167700    
 C    2.208500       1.419600     -0.2364000    
 C    1.776400       1.414200       1.089900    
 C    2.263900       2.618900     -0.9470000    
 C    1.399600       2.607800       1.705700    
 C    1.887100       3.812400     -0.3311000    
 C    1.455000       3.806800      0.9952000    
 H   -1.178300      0.5940000     -0.8743000    
 H   -4.559200       1.269100      0.1869000    
 H   -3.593400       1.474600      -1.253200    
 H   -3.514500      -2.141800     -0.4319000    
 H   -4.540800     -0.9263000      -1.206000    
 H  -0.6370000      -1.049600      0.8775000    
 H   -1.376600      -2.346800     -8.2400002E-02
 H   -2.526000      -1.746700      -2.317200    
 H   -1.284200     -0.6525000      -2.868600    
 H   -2.907400     -4.2700000E-02  -2.673400    
 H   -2.715800       2.000200       1.643700    
 H   -1.674300       2.267400      0.2501000    
 H   -4.388400      -1.600400       1.780100    
 H   -5.475600     -0.3952000       1.097500    
 H   -3.278500       3.934300     -0.6644000    
 H   -4.324000       3.693700      0.7501000    
 H   -2.699100       4.369600      0.9525000    
 H   -6.574500      -2.142200     -0.2968000    
 H   -5.499500      -3.368400      0.4046000    
 H   -6.657100      -2.510400       1.434400    
 H   0.5297000      -3.790500      0.4238000    
 H    4.602300     -0.9557000      0.5245000    
 H    2.528100      -4.536000       1.662100    
 H    4.565400      -3.121900       1.711000    
 H    1.717700      0.5022000       1.675900    
 H    2.596100       2.651300      -1.981000    
 H    1.061500       2.603700       2.737700    
 H    1.929400       4.746100     -0.8841000    
 H    1.160400       4.735800       1.474200    


%chk=000025234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025234

0 1
O 0.484922 -0.811236 -0.221221
O 4.059554 -0.272737 -1.881067
N -3.144019 -0.025290 0.117245
C -1.765469 0.053938 -0.446711
C -3.807062 1.299900 0.231618
C -4.014636 -1.093239 -0.438835
C -0.909842 -1.055558 0.196128
C -1.673805 0.045116 -1.993917
C -3.367325 2.092114 1.483138
C -5.011859 -1.648471 0.603102
C -4.036708 3.481761 1.559054
C -5.932235 -2.735434 0.005971
C 1.497584 -1.620453 0.296853
C 2.833546 -1.286573 -0.086190
C 1.250739 -2.752129 1.115265
C 3.887693 -2.144182 0.318087
C 3.188389 -0.117054 -0.967591
C 2.326664 -3.563678 1.535046
C 3.649612 -3.269834 1.132613
C 2.586281 1.238711 -0.732117
C 2.075961 1.628966 0.533504
C 2.599243 2.178568 -1.796452
C 1.583279 2.936325 0.729893
C 2.090165 3.479136 -1.605907
C 1.582078 3.862307 -0.340803
H -1.334797 1.010259 -0.092613
H -4.899828 1.135702 0.288105
H -3.632963 1.926235 -0.678418
H -3.376068 -1.929115 -0.782702
H -4.582358 -0.747214 -1.338156
H -0.998462 -0.993893 1.297811
H -1.223028 -2.065537 -0.141610
H -2.037841 -0.907857 -2.420385
H -0.624929 0.181144 -2.308193
H -2.274550 0.867244 -2.424419
H -3.614531 1.492860 2.379951
H -2.265457 2.211711 1.479513
H -4.436380 -2.052805 1.457590
H -5.628942 -0.821672 1.006727
H -3.775620 4.100058 0.679125
H -5.139364 3.392732 1.590281
H -3.718585 4.031032 2.463603
H -6.528147 -2.335667 -0.836462
H -5.344500 -3.591427 -0.376995
H -6.637120 -3.123901 0.763074
H 0.230825 -3.011325 1.412285
H 4.899775 -1.900842 -0.021869
H 2.125123 -4.434994 2.168404
H 4.480350 -3.908509 1.448496
H 2.079521 0.913496 1.362825
H 3.017446 1.867716 -2.759667
H 1.206391 3.236813 1.714020
H 2.093400 4.195602 -2.434798
H 1.194288 4.876178 -0.188830


