%chk=000087308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087308

0 1
 O    2.097000     -0.1538000     -0.6849000    
 O  -0.6556000      -3.410400     -0.7604000    
 O    1.163900     -0.2270000       1.412400    
 O   -2.489300      -3.300000      0.5571000    
 N  -1.6500000E-02 -0.8895000     -0.4717000    
 N   -2.036800       1.607600      0.9851000    
 N   -2.014700       3.248100     -0.5116000    
 C    3.308600      0.3537000     -0.1243000    
 C   -1.255100      -1.255000      0.1758000    
 C   -2.430500     -0.4392000     -0.3781000    
 C    3.848000     -0.6692000      0.8745000    
 C    4.296200      0.5575000      -1.271100    
 C    3.005800       1.682500      0.5667000    
 C   -2.238800       1.050200     -0.2227000    
 C    1.086100     -0.4072000      0.2016000    
 C   -1.536700      -2.742500      2.2200000E-02
 C   -2.226600       2.043900      -1.134700    
 C   -1.905000       2.950400      0.7641000    
 H   -1.144500      -1.080000       1.252900    
 H   -2.573400     -0.6701000      -1.442400    
 H   -3.361700     -0.7271000      0.1268000    
 H    3.794300      -1.684600      0.4646000    
 H    4.898400     -0.4575000       1.108200    
 H    3.331100     -0.6820000       1.837200    
 H    3.890300       1.253900      -2.014000    
 H    4.478800     -0.3858000      -1.798600    
 H    5.256200      0.9484000     -0.9185000    
 H    2.501900       1.589300       1.531900    
 H    3.934800       2.228600      0.7695000    
 H    2.374300       2.317700     -6.5600000E-02
 H   5.9400000E-02  -1.021900      -1.475900    
 H   -1.992100       1.141200       1.882000    
 H   -2.354700       1.982400      -2.205400    
 H   -1.731800       3.650400       1.568900    
 H  -0.8783000      -4.363000     -0.8331000    


%chk=000087308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087308

0 1
O 2.218124 -0.356981 -0.526432
O -0.961618 -3.313237 -1.367357
O 0.841247 0.095487 1.350419
O -2.489156 -3.448068 0.381363
N 0.052154 -1.008353 -0.553118
N -1.494917 1.571888 0.839352
N -2.707959 3.297681 0.010226
C 3.451470 0.368393 0.025202
C -1.252417 -1.339676 0.023609
C -2.442990 -0.447272 -0.468032
C 3.899901 -0.324232 1.326145
C 4.465711 0.159906 -1.111295
C 3.117146 1.859061 0.224232
C -2.333158 1.022232 -0.142715
C 1.032971 -0.382341 0.185786
C -1.635780 -2.796566 -0.251264
C -3.072995 2.105623 -0.635418
C -1.747825 2.937620 0.887616
H -1.166283 -1.230858 1.120480
H -2.552451 -0.568083 -1.562608
H -3.358125 -0.869751 -0.006864
H 4.074703 -1.400538 1.151121
H 4.848312 0.125951 1.672090
H 3.143744 -0.205738 2.117932
H 4.102768 0.616665 -2.047848
H 4.635708 -0.915856 -1.288752
H 5.428815 0.628238 -0.841236
H 2.383419 1.998758 1.033446
H 4.040153 2.405906 0.489881
H 2.715873 2.296163 -0.707022
H 0.297439 -1.383138 -1.471482
H -0.724369 1.073908 1.319962
H -3.845247 2.098592 -1.402350
H -1.219756 3.614316 1.554977
H -1.261612 -4.245701 -1.541546


