%chk=000051762.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051762

0 1
 O  -0.9939000     -0.4815000       2.497800    
 O   -2.857800      -1.016600       1.471700    
 O    1.146400       3.271900      0.4049000    
 O  -0.8208000       2.301900      0.4958000    
 O   0.7078000      -3.713100     -0.2282000    
 O   -1.132200      -2.550200      5.7100002E-02
 N   -1.140100     -9.9100001E-02  0.2949000    
 N   -1.702900     -0.5706000       1.487200    
 N   0.4239000       2.250200      0.3740000    
 N   0.1126000      -2.622200     -6.7500003E-02
 C   -1.977100      6.2600002E-02 -0.8772000    
 C   -1.094700      0.1005000      -2.133600    
 C   -2.793500       1.357900     -0.7525000    
 C   0.2656000     -0.1806000      0.1534000    
 C    1.042900      0.9781000      0.1927000    
 C   0.8776000      -1.422400     -2.4599999E-02
 C    2.428400      0.8951000      5.4200001E-02
 C   -1.901800      0.2471000      -3.417700    
 C   -3.685200       1.375300      0.4829000    
 C    3.038600     -0.3466000     -0.1238000    
 C    2.263200      -1.505300     -0.1632000    
 C    3.272500       2.131400      9.5100001E-02
 C    4.520300     -0.4636000     -0.2732000    
 H   -2.670500     -0.7822000     -0.9875000    
 H  -0.3816000      0.9318000      -2.119700    
 H  -0.5271000     -0.8295000      -2.244200    
 H   -3.514300       1.334500      -1.584600    
 H   -2.280500       2.297900     -0.9571000    
 H   -2.692000     -0.5079000      -3.477800    
 H   -2.355800       1.238800      -3.502200    
 H   -1.247000      0.1176000      -4.286200    
 H   -4.356900      0.5135000      0.5198000    
 H   -3.144100       1.508400       1.421400    
 H   -4.345300       2.249400      0.4100000    
 H    2.760700      -2.462200     -0.3025000    
 H    4.340900       1.930900     -2.4499999E-02
 H    3.046400       2.803300     -0.7405000    
 H    3.216200       2.627800       1.070500    
 H    4.867900      7.8000002E-02  -1.159100    
 H    5.033600     -9.5500000E-02  0.6213000    
 H    4.829900      -1.506900     -0.4037000    


%chk=000051762-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051762

0 1
O -0.903253 -1.328751 2.230742
O -3.003560 -1.079099 1.349460
O 0.391039 3.063480 -0.459681
O -0.242188 2.331293 1.609166
O 1.033061 -3.861728 0.039791
O -0.901501 -2.851403 -0.604014
N -1.167352 -0.200738 0.219532
N -1.733993 -0.918013 1.333577
N 0.341900 2.175339 0.477479
N 0.326349 -2.813627 -0.208518
C -2.087401 0.137927 -0.934536
C -1.337578 -0.042836 -2.280996
C -2.725004 1.549495 -0.804440
C 0.260158 -0.284380 0.127650
C 1.044879 0.890244 0.224032
C 0.991803 -1.490184 -0.065798
C 2.459701 0.938040 0.123246
C -2.287676 0.024693 -3.498297
C -3.425893 1.867782 0.533023
C 3.146826 -0.300138 -0.050583
C 2.396800 -1.493505 -0.130051
C 3.199564 2.257068 0.215334
C 4.659004 -0.362662 -0.143938
H -2.887751 -0.624522 -0.868178
H -0.552796 0.732994 -2.384398
H -0.842004 -1.030242 -2.279514
H -3.470414 1.622987 -1.620051
H -1.957481 2.318085 -1.019631
H -3.115870 -0.700534 -3.394725
H -2.724379 1.029565 -3.631312
H -1.737321 -0.223854 -4.423344
H -4.234290 1.149211 0.748775
H -2.716002 1.847525 1.378081
H -3.861587 2.882676 0.493457
H 2.900084 -2.457045 -0.248975
H 4.269545 2.105231 0.417530
H 3.102693 2.822368 -0.729773
H 2.791540 2.903028 1.012520
H 5.044078 0.272086 -0.962621
H 5.137126 -0.015681 0.791127
H 4.999440 -1.394275 -0.327547


