%chk=000153539.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153539

1 1
 O    1.982400       4.109700      0.3215000    
 N   -4.579500     -5.2000001E-02 -0.1075000    
 N   -1.341300      -1.732100      0.6338000    
 N    4.403100     -0.7369000     -0.4615000    
 C   -4.352700       1.220300      0.5924000    
 C   -5.328600      0.1541000      -1.354900    
 C   -5.676400       1.909000      0.9279000    
 C   -6.684400      0.8079000      -1.083000    
 C   -6.524900       2.118600     -0.3212000    
 C   -3.307000     -0.7202000     -0.3792000    
 C   -2.595300      -1.042300      0.9274000    
 C   0.9924000      -1.625100      0.1710000    
 C    2.211200     -0.8938000     -2.9700000E-02
 C  -0.2323000      -1.001900      0.4552000    
 C    1.008500      -3.041300      8.1699997E-02
 C    3.369100      -1.627100     -0.3073000    
 C    2.600500      0.4985000     -2.3100000E-02
 C   -1.349400      -3.066000      0.5541000    
 C    3.969300      0.5528000     -0.2959000    
 C  -0.1793000      -3.754800      0.2771000    
 C    2.201200      -3.713400     -0.1990000    
 C    3.394900      -3.021300     -0.3971000    
 C    1.930800       1.726300      0.1868000    
 C    4.692600       1.749900     -0.3689000    
 C    2.638900       2.933100      0.1175000    
 C    4.001400       2.942700     -0.1566000    
 C    2.755000       5.305400      0.2384000    
 H   -3.726300       1.893600     -7.3000002E-03
 H   -3.857700       1.078200       1.556200    
 H   -5.508600     -0.8107000      -1.844600    
 H   -4.755500      0.7742000      -2.056900    
 H   -6.235200       1.301000       1.650900    
 H   -5.481100       2.875300       1.406600    
 H   -7.203300      0.9920000      -2.030400    
 H   -7.313200      0.1215000     -0.5018000    
 H   -7.508000       2.516200     -4.6200000E-02
 H   -6.045300       2.862500     -0.9689000    
 H   -2.664300     -0.1062000      -1.023700    
 H   -3.491000      -1.657600     -0.9194000    
 H   -3.203800      -1.688600       1.572200    
 H   -2.320500     -0.1651000       1.520600    
 H  -0.3563000      6.7000002E-02  0.5376000    
 H   -2.294100      -3.574000      0.7083000    
 H  -0.2026000      -4.839400      0.2145000    
 H    5.356800     -0.9985000     -0.6695000    
 H    2.218400      -4.799900     -0.2684000    
 H    4.314600      -3.555100     -0.6146000    
 H   0.8685000       1.759800      0.4032000    
 H    5.756500       1.752800     -0.5832000    
 H    4.597400       3.847100     -0.2216000    
 H    3.167600       5.450300     -0.7658000    
 H    3.526700       5.341900       1.015000    
 H    2.074900       6.142700      0.4264000    


%chk=000153539-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153539

1 1
O 1.960299 4.027477 0.487655
N -4.450634 0.224214 -0.224325
N -1.323481 -1.749245 0.631744
N 4.544548 -0.821419 -0.463929
C -4.280751 1.665187 0.100026
C -5.565008 -0.032943 -1.177421
C -5.581705 2.261975 0.674008
C -6.893799 0.524516 -0.628583
C -6.764186 2.027766 -0.293268
C -3.207070 -0.489122 -0.495409
C -2.610343 -1.021317 0.847921
C 1.062786 -1.662197 0.146588
C 2.291402 -0.947048 -0.030267
C -0.168716 -1.035534 0.462340
C 1.067855 -3.117323 0.003785
C 3.477383 -1.699686 -0.335599
C 2.679857 0.454939 0.022741
C -1.337714 -3.132264 0.485552
C 4.095644 0.494486 -0.253023
C -0.167286 -3.813468 0.183768
C 2.283105 -3.809605 -0.302488
C 3.483112 -3.113851 -0.471753
C 1.997960 1.669702 0.267460
C 4.819600 1.701090 -0.284921
C 2.720764 2.883260 0.235358
C 4.124479 2.899720 -0.038668
C 2.636282 5.333369 0.476977
H -3.982420 2.237332 -0.814844
H -3.460451 1.775299 0.835488
H -5.646169 -1.124572 -1.333663
H -5.352910 0.435374 -2.171045
H -5.797792 1.784016 1.648685
H -5.435453 3.343004 0.856845
H -7.692049 0.358178 -1.375725
H -7.168421 -0.037482 0.284724
H -7.703093 2.403661 0.151994
H -6.598570 2.603451 -1.227006
H -2.436250 0.143768 -1.000583
H -3.406448 -1.349178 -1.161213
H -3.331030 -1.704206 1.323376
H -2.425314 -0.180367 1.537167
H -0.250474 0.041856 0.604625
H -2.299450 -3.625571 0.631712
H -0.201624 -4.902123 0.088167
H 5.504735 -1.086298 -0.678284
H 2.262533 -4.899344 -0.402482
H 4.408058 -3.651375 -0.704590
H 0.928998 1.731800 0.484238
H 5.893520 1.720126 -0.494626
H 4.673280 3.844854 -0.060023
H 3.073830 5.548806 -0.516011
H 3.418652 5.384678 1.257359
H 1.844728 6.062736 0.698546


