%chk=000054744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054744

0 1
 O   -2.876500       2.497500       1.198200    
 O   0.6405000      -2.624800     -0.6652000    
 O   0.8267000      -2.441000       1.621800    
 N   -1.119900     -0.3330000     -3.5200000E-02
 N  -0.7281000       1.738800      0.7404000    
 C   -2.437400      0.2686000      0.2974000    
 C   -3.282700      0.3522000     -0.9667000    
 C   -2.087700       1.651600      0.8087000    
 C   -3.106700     -0.5619000       1.384600    
 C   -2.543300       1.120400      -2.061800    
 C   -3.661400      -1.044900      -1.457700    
 C  -0.2350000      0.5740000      0.2499000    
 C    1.194400      0.4332000      8.8399999E-02
 C    1.829000     -0.8109000      0.1994000    
 C    1.964800       1.570300     -0.1864000    
 C    3.346500       1.465300     -0.3476000    
 C    3.210500     -0.9159000      3.8400002E-02
 C    3.969200      0.2222000     -0.2350000    
 C    1.064300      -2.018200      0.4843000    
 C    4.158200       2.681700     -0.6398000    
 C  -0.1255000      -3.825100     -0.5160000    
 H   -4.211100      0.8976000     -0.7508000    
 H   -4.135500     -0.2308000       1.564300    
 H   -3.116100      -1.630500       1.146100    
 H   -2.568400     -0.4627000       2.335400    
 H   -2.288700       2.139700      -1.756300    
 H   -1.627800      0.6140000      -2.385000    
 H   -3.182700       1.211800      -2.947900    
 H   -2.783800      -1.680100      -1.617300    
 H   -4.194100     -0.9792000      -2.413500    
 H   -4.335900      -1.553100     -0.7618000    
 H  -0.1976000       2.551300       1.032300    
 H    1.502900       2.548200     -0.2992000    
 H    3.707400      -1.879000      0.1241000    
 H    5.045000      0.1267000     -0.3564000    
 H    5.106500       2.423600      -1.123400    
 H    3.624100       3.353500      -1.320400    
 H    4.377200       3.219200      0.2882000    
 H   -1.044900      -3.618600      4.0100001E-02
 H   0.4689000      -4.591300     -9.8000001E-03
 H  -0.3910000      -4.185600      -1.513200    


%chk=000054744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054744

0 1
O -3.688009 -0.908196 1.372106
O 2.587733 -2.743577 2.036238
O 0.452570 -1.966507 2.371290
N -1.331540 0.242970 -1.166115
N -1.363534 -0.800321 0.876261
C -2.767934 0.094004 -0.769983
C -3.479193 1.490253 -0.666585
C -2.728196 -0.592553 0.624922
C -3.476964 -0.857184 -1.767684
C -2.780517 2.409735 0.363518
C -3.582122 2.191852 -2.039908
C -0.599641 -0.292831 -0.194596
C 0.897088 -0.303284 -0.272529
C 1.844914 -1.029138 0.536781
C 1.406165 0.501324 -1.330560
C 2.779879 0.634621 -1.618188
C 3.233210 -0.900362 0.229866
C 3.697817 -0.089052 -0.814059
C 1.520452 -1.915440 1.697053
C 3.259074 1.537841 -2.736961
C 2.368587 -3.626161 3.208386
H -4.499688 1.264919 -0.293301
H -4.538190 -0.969351 -1.483694
H -3.406540 -0.459509 -2.792587
H -3.005749 -1.855791 -1.755758
H -2.745445 1.949460 1.367486
H -1.746833 2.639499 0.045765
H -3.329737 3.364470 0.454069
H -2.579152 2.307177 -2.488702
H -4.026225 3.197098 -1.917887
H -4.216689 1.633183 -2.750260
H -0.931800 -1.260094 1.698686
H 0.660919 1.022269 -1.940030
H 3.945228 -1.460690 0.839260
H 4.774127 -0.016363 -1.007734
H 4.166783 1.136385 -3.220888
H 2.483415 1.672108 -3.509663
H 3.513420 2.542676 -2.346925
H 1.516498 -4.300038 3.021730
H 2.162721 -3.022678 4.107865
H 3.307396 -4.187923 3.308913


