%chk=000048607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048607

0 1
 O   -4.915800      0.1900000      0.1361000    
 O    4.915900      0.1905000     -0.1345000    
 O   -5.346900      -1.748800       1.320800    
 O    5.348900      -1.744700      -1.324800    
 N   -1.415200       1.329900      0.2945000    
 N    1.415400       1.330600     -0.2944000    
 C   -7.110300     -0.6824000      0.1564000    
 C    7.110500     -0.6818000     -0.1544000    
 C   -7.383900     -0.5747000      -1.308200    
 C   -7.747000      -1.826100     -0.5638000    
 C    7.746200      -1.827700      0.5630000    
 C    7.382000     -0.5787000       1.310900    
 C  -0.7399000      0.1248000     -0.2025000    
 C  -0.7397000       2.536000     -0.1996000    
 C   0.7394000      0.1239000      0.1977000    
 C   0.7394000       2.535700      0.2018000    
 C   -5.702600     -0.8204000      0.6093000    
 C    5.703400     -0.8184000     -0.6097000    
 C   -2.825300       1.330500     -8.9400001E-02
 C    2.825100       1.330100      9.1499999E-02
 C   -3.548200      0.1400000      0.5205000    
 C    3.548700      0.1415000     -0.5210000    
 H   -7.748900     -0.1161000      0.8260000    
 H    7.750100     -0.1133000     -0.8214000    
 H   -8.190400      7.5599998E-02  -1.624800    
 H   -6.557400     -0.6309000      -2.006100    
 H   -7.159900      -2.714800     -0.7605000    
 H   -8.797600      -2.016800     -0.3816000    
 H    7.158800      -2.717100      0.7561000    
 H    8.797000      -2.017800      0.3817000    
 H    8.187900      7.0600003E-02   1.630600    
 H    6.554500     -0.6372000       2.007400    
 H  -0.8312000      4.2300001E-02  -1.294000    
 H   -1.158700     -0.7849000      0.2370000    
 H   -1.212100       3.428100      0.2294000    
 H  -0.8259000       2.613600      -1.292000    
 H   0.8306000      3.7200000E-02   1.289000    
 H    1.158200     -0.7841000     -0.2452000    
 H    1.211700       3.428600     -0.2252000    
 H   0.8253000       2.611100       1.294400    
 H   -3.313800       2.247000      0.2667000    
 H   -2.951800       1.325100      -1.180400    
 H    3.314000       2.247600     -0.2610000    
 H    2.950000       1.321300       1.182700    
 H   -3.475300      0.1670000       1.614600    
 H   -3.155600     -0.8125000      0.1546000    
 H    3.477500      0.1718000      -1.615200    
 H    3.155600     -0.8121000     -0.1587000    


%chk=000048607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048607

0 1
O -5.106483 0.364969 -0.301322
O 5.105302 0.361429 0.303415
O -5.785156 -1.543684 0.865090
O 5.785227 -1.544061 -0.867396
N -1.453304 1.136592 0.022975
N 1.452576 1.135224 -0.020280
C -7.351597 -0.356119 -0.591616
C 7.351577 -0.357371 0.590167
C -8.199560 -1.593780 -0.979741
C -8.632869 -0.732164 0.194345
C 8.632529 -0.729239 -0.198335
C 8.202147 -1.594508 0.974140
C -0.687196 -0.080946 -0.346876
C -0.685069 2.352447 -0.345027
C 0.685243 -0.082777 0.345613
C 0.685436 2.350672 0.351409
C -6.045609 -0.603938 0.073468
C 6.045242 -0.605624 -0.074082
C -2.831471 1.146307 -0.520861
C 2.830457 1.142224 0.524323
C -3.749553 0.235602 0.303570
C 3.748155 0.231913 -0.300946
H -7.383145 0.517613 -1.245015
H 7.382463 0.514825 1.245647
H -8.757486 -1.532432 -1.917771
H -7.758418 -2.568262 -0.754231
H -8.478251 -1.135230 1.198675
H -9.494369 -0.069526 0.077455
H 8.477343 -1.130072 -1.203470
H 9.493019 -0.065390 -0.080876
H 8.761143 -1.534526 1.911623
H 7.762413 -2.569190 0.746760
H -0.533717 -0.140510 -1.454110
H -1.248922 -0.978266 -0.031209
H -1.256397 3.243546 -0.024904
H -0.523618 2.419307 -1.450542
H 0.531732 -0.145815 1.452657
H 1.246075 -0.979604 0.026970
H 1.257660 3.242194 0.034074
H 0.524011 2.414254 1.457120
H -3.223284 2.178248 -0.462880
H -2.873520 0.839481 -1.594759
H 3.223587 2.173771 0.468165
H 2.871461 0.833681 1.597783
H -3.790647 0.564042 1.356582
H -3.449618 -0.826625 0.278080
H 3.788625 0.560832 -1.353839
H 3.448536 -0.830412 -0.275718


