%chk=000053698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053698

0 1
 O  -0.2237000      -2.811200      -2.684400    
 O    1.394300      -1.209500      -1.088100    
 O    1.046700       1.542700     -0.8617000    
 O   -1.340000       2.490500      -1.883200    
 N   -1.445000      -2.195000      0.7529000    
 N   -1.748100       3.541900      0.1512000    
 C   -2.557700      -1.384300       1.258400    
 C   -1.381700      -2.128000     -0.6973000    
 C  -0.2329000      -2.966600      -1.262400    
 C   -2.575500      -1.478500       2.787700    
 C   -2.339800      6.8899997E-02  0.8236000    
 C   -3.876100      -1.914700      0.6826000    
 C    1.135800      -2.560900     -0.7201000    
 C    2.169100     -0.4757000     -0.2302000    
 C    1.993200      0.9037000     -0.1193000    
 C    3.141200      -1.118600      0.5364000    
 C    2.789200       1.639900      0.7582000    
 C    3.937100     -0.3823000       1.413900    
 C    3.761200      0.9968000       1.524700    
 C   0.4603000       2.713400     -0.2959000    
 C  -0.9615000       2.888900     -0.7850000    
 C   -3.146000       3.838600     -6.2199999E-02
 H   -1.556700      -3.164900       1.047300    
 H   -2.290800      -2.507900      -1.175500    
 H   -1.240200      -1.107600      -1.067400    
 H  -0.4064000      -4.028000      -1.051600    
 H   -3.387100     -0.8768000       3.212400    
 H   -1.635200      -1.116300       3.220000    
 H   -2.721000      -2.512100       3.123300    
 H   -2.552600      0.2466000     -0.2354000    
 H   -1.319500      0.4056000       1.040900    
 H   -3.015600      0.7330000       1.376900    
 H   -4.020100      -1.675200     -0.3761000    
 H   -3.967400      -2.999900      0.8093000    
 H   -4.726000      -1.462100       1.208700    
 H    1.146200      -2.716600      0.3655000    
 H    1.908000      -3.187200      -1.182300    
 H  -1.2300000E-02  -1.882400      -2.880500    
 H    3.335800      -2.184100      0.4578000    
 H    2.708400       2.718800      0.8532000    
 H    4.700500     -0.8810000       2.004100    
 H    4.387400       1.570900       2.201400    
 H   0.4316000       2.652300      0.7997000    
 H    1.033400       3.594600     -0.6051000    
 H   -1.330500       3.866800       1.018100    
 H   -3.562500       3.213500     -0.8558000    
 H   -3.681800       3.660200      0.8731000    
 H   -3.233500       4.892400     -0.3380000    


%chk=000053698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053698

0 1
O -0.731578 -1.427485 -2.606329
O 0.760629 -0.472287 -0.525555
O 0.862772 2.159149 -0.469226
O -0.685909 5.355987 -1.213038
N -1.963918 -2.768708 0.698742
N -1.345963 3.114756 -1.445113
C -2.715850 -2.346926 1.928538
C -1.894538 -1.833261 -0.445469
C -0.683405 -2.183671 -1.346254
C -2.726730 -3.575515 2.870918
C -1.961865 -1.182714 2.618844
C -4.179853 -1.918856 1.611232
C 0.652906 -1.945352 -0.631161
C 1.912770 0.072793 0.054455
C 1.970806 1.499824 0.086983
C 2.977428 -0.680883 0.591330
C 3.090162 2.146858 0.649212
C 4.098313 -0.024833 1.156507
C 4.155296 1.381972 1.184898
C 0.845621 3.626595 -0.463907
C -0.474518 4.111377 -1.081163
C -2.650172 3.390753 -2.053642
H -2.286437 -3.698854 0.392403
H -2.799193 -1.829948 -1.093313
H -1.756443 -0.806360 -0.063129
H -0.741235 -3.247477 -1.643773
H -3.248395 -3.339689 3.815263
H -1.693513 -3.886976 3.105902
H -3.249490 -4.432387 2.401776
H -1.954292 -0.266736 2.000678
H -0.914556 -1.472077 2.815845
H -2.447305 -0.930571 3.579112
H -4.200632 -1.065286 0.909014
H -4.742604 -2.754557 1.152875
H -4.711524 -1.612077 2.531258
H 0.627320 -2.406370 0.373999
H 1.500842 -2.331303 -1.229358
H -0.336195 -0.535336 -2.415479
H 2.940117 -1.773739 0.574964
H 3.143322 3.239303 0.673620
H 4.918848 -0.619861 1.570183
H 5.020501 1.892744 1.619403
H 0.916181 4.019250 0.569495
H 1.684494 4.034784 -1.060340
H -1.035919 2.152742 -1.276657
H -2.749424 4.483012 -2.159833
H -2.729899 2.923547 -3.052260
H -3.474772 3.017249 -1.418648


