%chk=000050744.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050744

0 1
 O  -0.4242000      0.6326000      0.1332000    
 O   0.4287000       1.942900      -1.556400    
 N   -2.778500     -0.8994000      0.6592000    
 N    5.524800      -1.277000      0.6141000    
 C   -2.767300      0.5549000      0.8642000    
 C   -3.110600      -1.216400     -0.7186000    
 C   -1.725700       1.160100     -9.4300002E-02
 C   -2.401100      0.8281000       2.329500    
 C   -4.167600       1.114400      0.5733000    
 C   -4.486900     -0.6599000      -1.072500    
 C   -3.062900      -2.727900     -0.9177000    
 C   0.5635000       1.112300     -0.6713000    
 C    1.866400      0.4845000     -0.3350000    
 C    3.025800       1.204600     -0.5380000    
 C    1.877400     -0.7992000      0.1711000    
 C    4.249700      0.6152000     -0.2211000    
 C    3.101300      -1.388500      0.4881000    
 C    4.287500     -0.6814000      0.2920000    
 H   -3.453900      -1.331800       1.289800    
 H   -2.368600     -0.8417000      -1.429400    
 H   -1.677600       2.239200      0.1121000    
 H   -1.996500       1.085200      -1.153200    
 H   -2.316900       1.903600       2.523000    
 H   -1.440600      0.3724000       2.597500    
 H   -3.158200      0.4249000       3.012500    
 H   -5.001000      0.5351000      0.9808000    
 H   -4.254800       2.022600       1.196900    
 H   -4.319800       1.586700     -0.3972000    
 H   -4.869600      -1.304400      -1.883500    
 H   -5.274000     -0.8125000     -0.3304000    
 H   -4.476200      0.2852000      -1.614600    
 H   -2.076200      -3.127100     -0.6557000    
 H   -3.256200      -2.993100      -1.963100    
 H   -3.809000      -3.239200     -0.2984000    
 H    3.009000       2.215900     -0.9334000    
 H   0.9693000      -1.375700      0.3204000    
 H    5.167100       1.176900     -0.3774000    
 H    3.117800      -2.400400      0.8848000    
 H    5.552700      -2.217900      0.9839000    
 H    6.385300     -0.7658000      0.4699000    


%chk=000050744-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050744

0 1
O -0.585244 0.690693 0.208479
O 0.389646 2.421909 -1.019049
N -3.078988 -0.763938 0.611532
N 5.443388 -1.483943 0.284700
C -2.937604 0.674704 0.955395
C -2.964495 -1.314974 -0.755651
C -1.894583 1.366305 0.054855
C -2.482312 0.747426 2.437216
C -4.270402 1.481229 0.798367
C -4.099586 -0.925422 -1.750629
C -2.873979 -2.853561 -0.632353
C 0.509360 1.333154 -0.395321
C 1.766304 0.578494 -0.201369
C 2.971950 1.111895 -0.733089
C 1.813023 -0.660921 0.494691
C 4.189908 0.436142 -0.576202
C 3.026409 -1.345861 0.656581
C 4.238367 -0.808224 0.124368
H -3.811452 -1.221991 1.167419
H -2.002429 -0.957892 -1.170847
H -1.787885 2.426660 0.346845
H -2.182502 1.338188 -1.012519
H -2.397176 1.794986 2.782244
H -1.506948 0.248341 2.551951
H -3.216414 0.233819 3.086672
H -5.051198 1.030133 1.438739
H -4.147730 2.536255 1.110042
H -4.636980 1.467755 -0.242882
H -3.946053 -1.421188 -2.728475
H -5.086280 -1.238617 -1.357744
H -4.132666 0.164131 -1.931067
H -2.028092 -3.133723 0.018476
H -2.736444 -3.324059 -1.622631
H -3.802827 -3.267061 -0.190064
H 2.926101 2.065872 -1.269321
H 0.884980 -1.074293 0.900432
H 5.112240 0.860587 -0.990987
H 3.049730 -2.301245 1.194944
H 5.483366 -2.368598 0.782879
H 6.307900 -1.105167 -0.091529


