%chk=000048605.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048605

0 1
 O   -5.018100      0.3331000     -0.3196000    
 O    5.017600      0.3315000      0.3210000    
 O   -5.855900      -1.057500       1.319800    
 O    5.857900      -1.051100      -1.323800    
 N   -1.443900       1.140700      7.0100002E-02
 N    1.443900       1.140800     -6.9899999E-02
 C  -0.6993000       2.346900     -0.3116000    
 C  -0.6996000     -6.4199999E-02 -0.3165000    
 C   0.6990000       2.345700      0.3158000    
 C   0.6991000     -6.6000000E-02  0.3097000    
 C   -2.776800       1.142100     -0.5292000    
 C    2.776100       1.139400      0.5313000    
 C   -3.733800      0.2892000      0.2883000    
 C    3.734200      0.2905000     -0.2889000    
 C   -6.000000     -0.3918000      0.3036000    
 C    6.000400     -0.3903000     -0.3044000    
 C   -7.294300     -0.2381000     -0.4622000    
 C    7.293600     -0.2403000      0.4641000    
 C   -8.430800      -1.042100      0.1672000    
 C    8.431100      -1.041100     -0.1676000    
 C   -9.740200     -0.8448000     -0.5953000    
 C    9.739400     -0.8476000      0.5978000    
 C   -10.88200      -1.612800      5.0700001E-02
 C    10.88220      -1.612300     -5.0400000E-02
 H  -0.6162000       2.425500      -1.404100    
 H   -1.229400       3.240000      4.1700002E-02
 H   -1.217800     -0.9661000      2.7100001E-02
 H  -0.6102000     -0.1369000      -1.409200    
 H   0.6157000       2.420200       1.408600    
 H    1.229200       3.240000     -3.4000002E-02
 H    1.217300     -0.9661000     -3.8800001E-02
 H   0.6095000     -0.1447000       1.401900    
 H   -3.192000       2.159500     -0.5409000    
 H   -2.765200      0.8251000      -1.580400    
 H    3.191200       2.156700      0.5485000    
 H    2.762900      0.8174000       1.580900    
 H   -3.401100     -0.7537000      0.3251000    
 H   -3.804500      0.6760000       1.312400    
 H    3.806400      0.6823000      -1.311100    
 H    3.401600     -0.7523000     -0.3312000    
 H   -7.555700      0.8260000     -0.4756000    
 H   -7.126900     -0.5783000      -1.490200    
 H    7.555100      0.8236000      0.4831000    
 H    7.124800     -0.5856000       1.490200    
 H   -8.563800     -0.7353000       1.212400    
 H   -8.166600      -2.106800      0.1830000    
 H    8.167100      -2.105800     -0.1890000    
 H    8.565600     -0.7292000      -1.211100    
 H   -9.997300      0.2204000     -0.6255000    
 H   -9.620900      -1.179500      -1.632200    
 H    9.996400      0.2175000      0.6337000    
 H    9.618600      -1.187400       1.633000    
 H   -10.67090      -2.686700      7.0200004E-02
 H   -11.80830      -1.458800     -0.5116000    
 H   -11.04910      -1.276500       1.078900    
 H    10.67110      -2.686100     -7.5499997E-02
 H    11.80770      -1.461200      0.5141000    
 H    11.05080      -1.271000      -1.076700    


%chk=000048605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048605

0 1
O -5.106505 0.608112 0.010881
O 5.104986 0.604983 -0.008535
O -5.743204 -1.077282 1.487897
O 5.740085 -1.085332 -1.480639
N -1.448853 1.418991 0.107296
N 1.447740 1.417885 -0.106051
C -0.704840 2.634636 -0.307063
C -0.706250 0.200784 -0.304759
C 0.704578 2.634179 0.308031
C 0.704258 0.200361 0.306561
C -2.859453 1.423366 -0.346228
C 2.858313 1.421685 0.347589
C -3.723938 0.548615 0.569655
C 3.722128 0.544311 -0.566401
C -6.040617 -0.266849 0.580692
C 6.038390 -0.272242 -0.576129
C -7.413634 -0.067169 -0.039253
C 7.411712 -0.071183 0.042737
C -8.293369 -1.333850 0.032858
C 8.295088 -1.334756 -0.035827
C -9.730660 -1.078883 -0.472718
C 9.731726 -1.078193 0.470779
C -10.608717 -2.347623 -0.421382
C 10.612872 -2.344581 0.414608
H -0.608326 2.700299 -1.420076
H -1.256534 3.525854 0.045357
H -1.249236 -0.695609 0.044652
H -0.617144 0.139301 -1.418757
H 0.608138 2.700119 1.421034
H 1.256923 3.524923 -0.044565
H 1.246491 -0.696599 -0.042529
H 0.615157 0.139420 1.420587
H -3.240705 2.459804 -0.301688
H -2.973910 1.078021 -1.402677
H 3.240528 2.457677 0.300950
H 2.972333 1.078374 1.404767
H -3.398471 -0.506310 0.594736
H -3.731068 0.935549 1.603228
H 3.728772 0.928454 -1.601021
H 3.396477 -0.510621 -0.588432
H -7.907598 0.759688 0.512580
H -7.289694 0.286681 -1.078267
H 7.902200 0.760171 -0.505416
H 7.287846 0.277531 1.083569
H -8.317329 -1.698687 1.076985
H -7.827619 -2.141022 -0.566677
H 7.831691 -2.146203 0.559744
H 8.319995 -1.694645 -1.081645
H -10.197739 -0.280160 0.139547
H -9.695534 -0.694225 -1.512673
H 10.196929 -0.275985 -0.138351
H 9.695645 -0.697627 1.512212
H -10.180052 -3.151938 -1.048400
H -11.633030 -2.145390 -0.784412
H -10.685439 -2.734137 0.612101
H 10.186321 -3.152184 1.038834
H 11.636796 -2.141181 0.778081
H 10.690249 -2.727204 -0.620277


