%chk=000004601.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004601

0 1
 O   0.5761000       1.159800     -2.4000000E-02
 N    4.257800       1.123200     -0.1968000    
 C  -0.4197000      0.2969000      0.5081000    
 C  -0.2780000      -1.118100     -1.8500000E-02
 C   -1.796400      0.8802000      0.2670000    
 C    1.882700      0.6405000      0.1859000    
 C   4.7100000E-02  -2.150500      0.8427000    
 C    2.894300       1.609300     -0.4053000    
 C  -0.4821000      -1.336700      -1.369800    
 C   -2.811600      0.6072000       1.166700    
 C   -2.007400       1.673300     -0.8469000    
 C   0.1724000      -3.444400      0.3366000    
 C   0.2692000      -1.918100       2.301200    
 C  -0.3570000      -2.630500      -1.875600    
 C  -2.9700000E-02  -3.684300      -1.022600    
 C   -4.079500       1.144600      0.9448000    
 C   -3.275400       2.210700      -1.068500    
 C    4.522700      0.9410000       1.229900    
 C    5.225900       2.049600     -0.7822000    
 C   -4.311400       1.946300     -0.1727000    
 H  -0.2788000      0.3447000       1.593200    
 H    2.016500      0.5356000       1.265900    
 H    2.024200     -0.3300000     -0.3000000    
 H    2.689600       1.713000      -1.478700    
 H    2.747000       2.607400      2.9500000E-02
 H  -0.7195000     -0.5320000      -2.057600    
 H   -2.642400     -1.6400000E-02   2.039400    
 H   -1.219800       1.890500      -1.562000    
 H   0.4275000      -4.277100      0.9868000    
 H  -0.6329000      -1.519700       2.776300    
 H    1.113500      -1.244700       2.472900    
 H   0.5065000      -2.853600       2.821100    
 H  -0.5101000      -2.816900      -2.934600    
 H   6.8999998E-02  -4.691500      -1.416900    
 H   -4.886200      0.9385000       1.642000    
 H   -3.456800       2.834000      -1.939300    
 H    5.588700      0.7423000       1.396900    
 H    4.010700      6.1000001E-02   1.631700    
 H    4.255100       1.822400       1.824100    
 H    6.244600       1.659200     -0.6798000    
 H    5.186900       3.039900     -0.3141000    
 H    5.044400       2.168400      -1.856300    
 H   -5.298700       2.364400     -0.3456000    


%chk=000004601-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004601

0 1
O 0.686811 0.958062 -0.154033
N 4.404395 1.398550 -0.251461
C -0.314179 0.126428 0.547655
C -0.259254 -1.331795 0.082829
C -1.676110 0.801700 0.335603
C 2.071031 0.648963 0.238462
C -0.409195 -2.417257 0.995035
C 2.968794 1.614013 -0.549947
C -0.069874 -1.593144 -1.296855
C -2.871986 0.044781 0.272813
C -1.753237 2.215893 0.260423
C -0.358276 -3.741458 0.486120
C -0.625512 -2.194062 2.485316
C -0.021415 -2.914297 -1.787851
C -0.166232 -3.996312 -0.889520
C -4.123905 0.688867 0.145524
C -3.003289 2.858730 0.126325
C 4.817161 1.951553 1.054715
C 5.285791 1.861290 -1.342514
C -4.195114 2.098330 0.072892
H -0.079349 0.166374 1.636167
H 2.182429 0.785085 1.337072
H 2.332300 -0.397367 -0.014283
H 2.801682 1.424381 -1.625706
H 2.642625 2.665426 -0.348975
H 0.049608 -0.740298 -1.974350
H -2.825679 -1.049362 0.306506
H -0.825628 2.795330 0.285413
H -0.471190 -4.581872 1.182060
H -1.511916 -1.563529 2.686231
H 0.242081 -1.694000 2.957806
H -0.774957 -3.155927 3.004642
H 0.126826 -3.099311 -2.857579
H -0.129962 -5.028724 -1.255462
H -5.040225 0.089576 0.095447
H -3.048349 3.952105 0.061950
H 5.871082 1.685381 1.251659
H 4.206126 1.521530 1.866601
H 4.725501 3.067199 1.107172
H 6.332879 1.595233 -1.109628
H 5.243470 2.967546 -1.513755
H 5.008466 1.357974 -2.285486
H -5.165224 2.597812 -0.030133


