%chk=000018347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018347

0 1
 O    1.408900     -0.8770000      -1.032100    
 O   -5.342900     -0.5661000     -8.9199997E-02
 O   -5.624900       1.688900      0.2771000    
 N    4.024400     -0.4286000     -0.6188000    
 N   0.7635000      0.8740000      0.3925000    
 C    5.406100     -7.6300003E-02 -0.2976000    
 C    6.342400     -0.5818000      -1.400600    
 C    5.789800     -0.6632000       1.065200    
 C    7.804900     -0.2983000      -1.061900    
 C    7.253200     -0.3804000       1.400900    
 C    8.188400     -0.8714000      0.2995000    
 C    3.093700      0.4428000      8.1900001E-02
 C    1.669600      4.8700001E-02 -0.2704000    
 C  -0.6497000      0.8307000      0.3296000    
 C   -1.330900     -0.3210000      0.7232000    
 C   -1.361400       1.940800     -0.1253000    
 C   -2.723700     -0.3628000      0.6619000    
 C   -2.754300       1.898900     -0.1865000    
 C   -3.435500      0.7472000      0.2070000    
 C  -0.5961000      -1.525300       1.217200    
 C  -0.6594000       3.189000     -0.5529000    
 C   -4.887700      0.7033000      0.1420000    
 C   -6.761400     -0.7392000     -0.1758000    
 C   -7.062800      -2.207500     -0.4340000    
 C   -8.554100      -2.465400     -0.5531000    
 H    5.516100       1.016700     -0.2625000    
 H    6.211200      -1.662900      -1.542300    
 H    6.097000     -0.1038000      -2.357100    
 H    5.170400     -0.2476000       1.867600    
 H    5.626000      -1.749100       1.068000    
 H    7.976700      0.7852000      -1.063600    
 H    8.451700     -0.7253000      -1.836600    
 H    7.392800      0.6981000       1.544700    
 H    7.514300     -0.8654000       2.348400    
 H    9.220300     -0.5917000      0.5400000    
 H    8.156100      -1.967000      0.2557000    
 H    3.872700     -0.3249000      -1.622500    
 H    3.241800       1.489200     -0.2109000    
 H    3.194200      0.3582000       1.168900    
 H    1.141100       1.775800      0.6764000    
 H   -3.242300      -1.263900      0.9814000    
 H   -3.309700       2.763500     -0.5431000    
 H  -0.2922000      -2.161900      0.3817000    
 H   0.2780000      -1.259100       1.819800    
 H   -1.236100      -2.127300       1.873200    
 H  -0.1806000       3.670700      0.3059000    
 H   9.6500002E-02   2.967500      -1.313800    
 H   -1.351800       3.914800     -0.9935000    
 H   -7.149000     -0.1233000     -0.9956000    
 H   -7.221600     -0.4182000      0.7659000    
 H   -6.642200      -2.816800      0.3748000    
 H   -6.554700      -2.531500      -1.350200    
 H   -8.741800      -3.527700     -0.7379000    
 H   -8.986000      -1.895100      -1.381700    
 H   -9.075600      -2.183400      0.3671000    


%chk=000018347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018347

0 1
O 1.513533 -0.629782 -1.072113
O -5.495474 -0.621052 -0.200977
O -5.640823 1.704878 -0.193855
N 4.096233 -0.561041 -0.074047
N 0.747507 0.744357 0.669635
C 5.500752 -0.163690 -0.304205
C 6.261197 -1.343581 -0.952348
C 6.192188 0.257289 1.016587
C 7.752329 -1.006350 -1.186058
C 7.682218 0.606570 0.789104
C 8.440682 -0.569903 0.129791
C 3.177931 0.504393 0.331627
C 1.742755 0.136329 -0.092148
C -0.671708 0.670238 0.455696
C -1.343047 -0.587649 0.397993
C -1.387492 1.904885 0.364782
C -2.743702 -0.581100 0.201005
C -2.783219 1.865598 0.185522
C -3.467681 0.628986 0.090725
C -0.615638 -1.902045 0.583020
C -0.657700 3.234707 0.440831
C -4.943758 0.660834 -0.110424
C -6.971556 -0.680138 -0.406580
C -7.354153 -2.157597 -0.502664
C -8.875045 -2.328727 -0.716108
H 5.562524 0.713597 -1.006015
H 6.171960 -2.221136 -0.280846
H 5.776015 -1.617576 -1.911508
H 5.667050 1.123522 1.466418
H 6.102025 -0.585491 1.731405
H 7.832955 -0.186004 -1.929201
H 8.271888 -1.882395 -1.619820
H 7.756591 1.499710 0.133827
H 8.156889 0.878173 1.751833
H 9.493536 -0.287011 -0.064269
H 8.460556 -1.429043 0.831800
H 3.691503 -1.086746 -0.864349
H 3.418000 1.487674 -0.156306
H 3.215012 0.677891 1.427054
H 1.066930 1.427754 1.362130
H -3.285933 -1.529555 0.149468
H -3.362049 2.791534 0.102140
H -0.051554 -2.168166 -0.328627
H 0.124561 -1.841955 1.402396
H -1.327588 -2.711929 0.814356
H -0.224172 3.420685 1.444905
H 0.171706 3.283267 -0.289218
H -1.346875 4.068481 0.229990
H -7.220993 -0.122467 -1.328656
H -7.465831 -0.173716 0.443705
H -7.038787 -2.675006 0.422702
H -6.797501 -2.621842 -1.338097
H -9.142420 -3.397606 -0.789150
H -9.208291 -1.833434 -1.647220
H -9.450635 -1.893821 0.122365


