%chk=000054977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054977

0 1
 O    3.592300     -0.9858000       2.595800    
 O    1.370800      -1.558600       1.024700    
 O   -4.662100      0.8671000      5.9400000E-02
 O   -2.679000      0.9017000       1.197900    
 N    3.344000      0.8723000     -0.5937000    
 N   -3.083400     -0.6265000     -0.5346000    
 C    3.044900       2.279600     -0.8779000    
 C    3.341300      0.6288000      0.8389000    
 C    3.654100     -0.8312000       1.175000    
 C    3.048500       2.482600      -2.396700    
 C    1.661800       2.609700     -0.3067000    
 C    4.110500       3.168000     -0.2251000    
 C    2.682500      -1.820500      0.5355000    
 C   0.3316000      -1.832700      0.1763000    
 C  -0.8465000      -1.089800      0.2531000    
 C   0.4512000      -2.855100     -0.7650000    
 C   -1.904900      -1.369500     -0.6112000    
 C  -0.6071000      -3.134800      -1.629400    
 C   -1.785200      -2.391900      -1.552500    
 C   -3.394600      0.4228000      0.3267000    
 C   -5.131900       1.951700      0.8684000    
 C   -6.538700       2.312300      0.4410000    
 H    4.252800      0.6222000     -0.9828000    
 H    4.094000       1.223600       1.367400    
 H    2.379100      0.8617000       1.305600    
 H    4.676600      -1.075100      0.8648000    
 H    2.817900       3.521700      -2.658400    
 H    2.301900       1.845700      -2.885700    
 H    4.026800       2.243100      -2.830000    
 H   0.9144000       1.859000     -0.5907000    
 H    1.649700       2.719400      0.7828000    
 H    1.309600       3.570100     -0.7041000    
 H    4.015400       3.239200      0.8633000    
 H    5.125100       2.827900     -0.4641000    
 H    4.025100       4.195900     -0.5995000    
 H    2.754900      -1.734400     -0.5554000    
 H    2.953600      -2.839800      0.8352000    
 H    2.673200     -0.8282000       2.872100    
 H  -0.8713000     -0.3117000       1.003900    
 H    1.338000      -3.477800     -0.8374000    
 H  -0.5170000      -3.935600      -2.357700    
 H   -2.602600      -2.621800      -2.231400    
 H   -3.813400     -0.8839000      -1.194600    
 H   -4.472100       2.816600      0.7376000    
 H   -5.131200       1.648400       1.921200    
 H   -6.929500       3.139600       1.040000    
 H   -7.206700       1.451400      0.5486000    
 H   -6.558700       2.600100     -0.6153000    


%chk=000054977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054977

0 1
O 2.887643 -0.834343 2.725109
O 1.093809 -0.857694 0.619057
O -5.417713 0.531482 0.576977
O -3.281158 0.908455 1.499520
N 4.271969 0.929884 -0.309067
N -3.676372 -0.631956 -0.264762
C 4.091807 2.172437 -1.132238
C 3.539513 0.809095 0.971370
C 3.367156 -0.685361 1.344175
C 5.096622 2.062803 -2.304849
C 2.649790 2.207046 -1.697720
C 4.376617 3.470754 -0.319260
C 2.440033 -1.417065 0.365826
C 0.015509 -1.331232 -0.143215
C -1.234904 -0.755273 0.182080
C 0.139095 -2.304865 -1.164347
C -2.384829 -1.162166 -0.530595
C -1.025931 -2.696162 -1.863390
C -2.281554 -2.139652 -1.561005
C -4.028509 0.318247 0.680328
C -5.977812 1.525824 1.535443
C -7.469548 1.631440 1.235247
H 5.275701 0.735928 -0.177696
H 4.034559 1.311997 1.831187
H 2.536652 1.257268 0.859709
H 4.354848 -1.182928 1.331930
H 5.009839 2.933719 -2.978678
H 4.905130 1.144404 -2.887798
H 6.139624 2.027131 -1.932549
H 2.445998 1.286259 -2.272262
H 1.891847 2.284698 -0.897540
H 2.520271 3.078790 -2.364792
H 3.690097 3.557975 0.542641
H 5.414120 3.472641 0.066664
H 4.243477 4.370322 -0.948987
H 2.758630 -1.208075 -0.673055
H 2.428286 -2.505354 0.569338
H 1.913193 -0.641289 2.714450
H -1.302587 -0.007907 0.974549
H 1.105033 -2.749006 -1.416489
H -0.947928 -3.447999 -2.656289
H -3.174450 -2.455655 -2.113311
H -4.452042 -0.983762 -0.829761
H -5.449528 2.486072 1.393964
H -5.778986 1.171615 2.563320
H -7.937329 2.358542 1.923728
H -7.969417 0.656665 1.368093
H -7.640573 1.973753 0.200250


