%chk=000043288.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043288

0 1
 O   -5.827200      -1.260700      6.7100003E-02
 O    3.390200      -3.530300     -0.9195000    
 O   -7.720800     -0.3331000       1.010700    
 N  -0.7399000       2.205400     -0.4526000    
 N    4.839500       1.352900       1.108400    
 C   0.7004000       1.945100     -0.4815000    
 C   -1.488900      0.9700000     -0.6514000    
 C    1.175200       1.327700      0.8363000    
 C   -2.901400       1.109100     -8.6400002E-02
 C    2.653700       1.072800      0.8412000    
 C   -1.097600       3.194300      -1.471000    
 C    3.309500     -0.1176000      0.4196000    
 C   -3.701400     -0.1786000     -0.2764000    
 C    4.679900      8.4500000E-02  0.5973000    
 C    3.620500       1.957800       1.259500    
 C  -0.3735000       4.509400      -1.237400    
 C   -5.125300     -3.7799999E-02  0.2455000    
 C    2.867500      -1.351300     -9.7900003E-02
 C    5.634000     -0.8894000      0.2821000    
 C    3.810400      -2.334800     -0.4177000    
 C    5.172000      -2.105400     -0.2299000    
 C   -7.125600      -1.270400      0.4965000    
 C    1.984900      -3.703600      -1.088200    
 C   -7.736000      -2.616000      0.2458000    
 H   0.9677000       1.303500      -1.332700    
 H    1.292800       2.856100     -0.6017000    
 H   -1.024800      0.1239000     -0.1334000    
 H   -1.521900      0.6870000      -1.712100    
 H   0.6636000      0.3850000       1.057100    
 H   0.9304000       2.004900       1.665900    
 H   -3.443400       1.925400     -0.5758000    
 H   -2.851100       1.352000      0.9827000    
 H  -0.8809000       2.833800      -2.484700    
 H   -2.170000       3.410900      -1.428800    
 H   -3.207400      -1.013100      0.2367000    
 H   -3.732800     -0.4550000      -1.337800    
 H    3.552200       2.963500       1.650300    
 H    5.728200       1.775600       1.338400    
 H  -0.8847000       5.306500      -1.789900    
 H   0.6566000       4.500000      -1.605800    
 H  -0.3765000       4.798100     -0.1807000    
 H   -5.106200      0.2154000       1.312300    
 H   -5.643800      0.7601000     -0.2994000    
 H    1.799000      -1.475200     -0.2253000    
 H    6.694200     -0.7116000      0.4280000    
 H    5.892500      -2.879600     -0.4833000    
 H    1.830200      -4.708400      -1.495100    
 H    1.576300      -2.997900      -1.819600    
 H    1.455500      -3.663400     -0.1301000    
 H   -7.727700      -2.832700     -0.8253000    
 H   -8.773200      -2.614500      0.5931000    
 H   -7.185000      -3.381400      0.7981000    


%chk=000043288-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043288

0 1
O -5.852635 -1.277021 0.157987
O 3.391332 -3.493834 -1.090436
O -7.734603 -0.306536 1.132414
N -0.646248 2.172369 -0.656490
N 4.953185 1.257853 1.402598
C 0.808991 1.886470 -0.561725
C -1.469403 0.939457 -0.746465
C 1.242974 1.493715 0.877820
C -2.879970 1.114195 -0.143190
C 2.706159 1.136951 0.972177
C -0.978020 3.165904 -1.713759
C 3.340057 -0.081662 0.494512
C -3.731264 -0.170821 -0.272369
C 4.745333 0.020794 0.777632
C 3.724093 1.922901 1.517998
C -0.642621 4.612225 -1.302640
C -5.119173 0.013110 0.339763
C 2.835304 -1.253664 -0.137730
C 5.653336 -1.010501 0.444919
C 3.745605 -2.278562 -0.464210
C 5.141401 -2.159384 -0.178573
C -7.174568 -1.300471 0.615416
C 1.980332 -3.687963 -1.413887
C -7.786427 -2.671793 0.422180
H 1.121536 1.086796 -1.278141
H 1.367674 2.794677 -0.850002
H -0.951143 0.136261 -0.188325
H -1.559117 0.579223 -1.804291
H 0.624867 0.640267 1.222647
H 1.001555 2.340645 1.545512
H -3.400956 1.955116 -0.643387
H -2.768333 1.402398 0.919729
H -0.468275 2.918807 -2.679789
H -2.064280 3.101253 -1.910297
H -3.221682 -1.015519 0.230942
H -3.840665 -0.449787 -1.338505
H 3.657367 2.904369 1.984909
H 5.848621 1.609624 1.732215
H -0.921560 5.318600 -2.107031
H 0.436377 4.742743 -1.102528
H -1.193060 4.882614 -0.384786
H -5.074403 0.241476 1.420906
H -5.693614 0.817198 -0.156475
H 1.766829 -1.344552 -0.355055
H 6.724205 -0.929895 0.661811
H 5.794354 -2.990920 -0.459844
H 1.923930 -4.679103 -1.888306
H 1.616846 -2.915430 -2.121078
H 1.349912 -3.675345 -0.502105
H -7.302740 -3.209210 -0.407407
H -8.867813 -2.572025 0.240949
H -7.649702 -3.265117 1.344989


