%chk=000048863.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048863

0 1
 O    2.558900      9.8200001E-02   1.332200    
 O    3.715300     -0.2203000     -0.7110000    
 O   0.8949000       2.258500      -2.653600    
 N   -2.830700       1.813300       1.338000    
 N   -3.284100      -2.305600     -0.8789000    
 N   0.7991000      5.5999998E-03  -1.027200    
 N   -3.084300     -0.2485000      0.2392000    
 N   -1.228000      -1.171000     -0.9694000    
 N  -0.9965000      0.9318000      0.1628000    
 C    1.674600       1.122200     -0.7021000    
 C    1.814600       1.207300      0.8249000    
 C    3.044000      0.8686000      -1.347500    
 C    3.832800      6.9999998E-04  0.6949000    
 C    1.044300       2.402600      -1.254400    
 C   -4.192600       2.304300       1.091100    
 C   -3.886500       1.523000       2.316600    
 C   -4.173900      -2.943400      0.1000000    
 C   -4.738100      -2.177800      -1.040800    
 C    4.561200      -1.190800       1.292800    
 C   -2.276200      0.7807000      0.5405000    
 C   -2.492800      -1.186000     -0.5184000    
 C  -0.5093000     -8.0200002E-02 -0.5999000    
 C    3.779500      -2.483500       1.052000    
 C    5.973900      -1.309900      0.7181000    
 H   0.8842000       1.250100       1.390300    
 H    2.358700       2.122300       1.096700    
 H    2.951500      0.6141000      -2.409300    
 H    3.686100       1.755700      -1.279600    
 H    4.409800      0.9166000      0.8822000    
 H    1.718300       3.250300      -1.079800    
 H   8.2500003E-02   2.685800     -0.8255000    
 H    1.154400     -0.7617000      -1.586000    
 H   -4.268100       3.379000       1.167600    
 H   -4.721300       1.829200      0.2781000    
 H   -4.209100      0.4950000       2.383700    
 H   -3.749000       2.054500       3.247100    
 H   -4.153900      -4.021700      4.0600002E-02
 H   -4.176700      -2.503600       1.086300    
 H   -5.111400      -2.723900      -1.895000    
 H   -5.156200      -1.198000     -0.8660000    
 H    4.636600      -1.048900       2.378700    
 H    2.777600      -2.436100       1.490700    
 H    4.296200      -3.331800       1.514700    
 H    3.673600      -2.706200     -1.5100000E-02
 H    6.541000     -0.3882000      0.8854000    
 H    6.517700      -2.127200       1.204100    
 H    5.962100      -1.512600     -0.3580000    
 H   0.5345000       3.095400      -2.992800    


%chk=000048863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048863

0 1
O 2.384737 0.211569 1.365805
O 3.400518 -0.212039 -0.789555
O 0.781472 2.710640 -2.631696
N -3.195614 1.859040 1.369088
N -3.190169 -2.422694 -0.579560
N 0.588072 0.302930 -0.993861
N -3.247197 -0.287167 0.408426
N -1.244493 -1.108768 -0.724524
N -1.305462 1.173869 0.146179
C 1.521111 1.401981 -0.647366
C 1.777293 1.467457 0.885079
C 2.872439 1.052858 -1.327056
C 3.629289 -0.087411 0.659587
C 1.002685 2.761834 -1.182350
C -3.389153 3.284884 1.033619
C -4.585865 2.335572 1.239876
C -2.685980 -3.797567 -0.396164
C -3.938344 -3.293683 0.348603
C 4.190933 -1.408853 1.197967
C -2.571060 0.887764 0.597031
C -2.529089 -1.241617 -0.274218
C -0.688094 0.130263 -0.498558
C 3.235212 -2.590677 0.915166
C 5.605743 -1.661817 0.627657
H 0.833830 1.577337 1.439160
H 2.450511 2.325174 1.109803
H 2.751329 0.904275 -2.410815
H 3.594907 1.877712 -1.148602
H 4.338412 0.764564 0.813881
H 1.769006 3.542862 -1.036782
H 0.077144 3.035599 -0.643475
H 1.023933 -0.570402 -1.309430
H -3.123662 4.003114 1.815559
H -3.156111 3.598978 0.008934
H -5.145753 2.012622 0.354468
H -5.163497 2.384150 2.168012
H -2.796857 -4.467519 -1.254296
H -1.759803 -3.918987 0.177831
H -4.932112 -3.607927 0.015166
H -3.848627 -3.079305 1.420022
H 4.264477 -1.269088 2.295243
H 2.222552 -2.375350 1.296437
H 3.609334 -3.507700 1.405585
H 3.165172 -2.781444 -0.170097
H 6.302046 -0.838871 0.878628
H 6.024356 -2.596793 1.041606
H 5.567385 -1.755844 -0.471879
H 0.152244 1.962370 -2.805138


