%chk=000149192.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149192

0 1
 O    1.739800      -1.250800       1.884500    
 N    2.332500      -1.107800     -0.3722000    
 N    5.169100       1.270600      0.1580000    
 N  -0.6539000      0.4649000      0.3459000    
 N   -4.555000     -0.7876000     -0.5376000    
 C    3.707500     -0.6658000     -0.1496000    
 C  -0.9261000     -0.8483000      0.2193000    
 C   8.6999997E-02  -1.789500      0.3814000    
 C   -2.218800      -1.313300     -7.6099999E-02
 C    3.795900      0.8523000     -9.3000002E-02
 C    1.449300      -1.367300      0.6888000    
 C   -3.232100     -0.3631000     -0.2378000    
 C   -2.955200       1.001500     -0.1072000    
 C   -1.633600       1.376000      0.1892000    
 C  -0.1580000      -3.159400      0.2574000    
 C   -2.468900      -2.691000     -0.2014000    
 C    1.937300      -1.261600      -1.765300    
 C   -1.438500      -3.611500     -3.4600001E-02
 C   -3.954100       1.978100     -0.2644000    
 C   -1.351500       2.733100      0.3204000    
 C    5.255400       2.729300      0.2516000    
 C    6.059800      0.7766000     -0.8940000    
 C   -3.645900       3.328400     -0.1281000    
 C   -2.341800       3.706200      0.1649000    
 H    4.050700      -1.089700      0.8022000    
 H    4.311700      -1.110500     -0.9459000    
 H    3.410800       1.290000      -1.023300    
 H    3.145900       1.213400      0.7146000    
 H   0.6451000      -3.880500      0.3869000    
 H   -3.447400      -3.100500     -0.4280000    
 H   0.8877000      -1.517900      -1.906700    
 H    2.545800      -2.054600      -2.211200    
 H    2.130800     -0.3233000      -2.293700    
 H   -1.633600      -4.675000     -0.1321000    
 H   -4.987700       1.741600     -0.4932000    
 H  -0.3370000       3.054400      0.5495000    
 H    4.961500       3.221600     -0.6826000    
 H    6.276200       3.040200      0.5003000    
 H    4.611200       3.102000       1.055900    
 H    6.231400     -0.3009000     -0.8123000    
 H    7.055300       1.226100     -0.7921000    
 H    5.692500       1.011700      -1.899700    
 H   -4.788400      -1.763100     -0.6394000    
 H   -5.308200     -0.1288000     -0.6610000    
 H   -4.418600       4.081200     -0.2498000    
 H   -2.090500       4.757200      0.2733000    


%chk=000149192-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149192

0 1
O 2.168827 -1.796672 1.593417
N 2.302068 -1.220444 -0.657008
N 5.101519 1.232993 0.167621
N -0.437923 0.271964 -0.092654
N -4.604656 -0.702394 -0.120463
C 3.687440 -0.740151 -0.454417
C -0.863732 -1.019364 0.085111
C 0.145477 -2.036615 0.302801
C -2.266824 -1.413721 0.082056
C 3.717037 0.721829 0.061028
C 1.605279 -1.658140 0.455859
C -3.258493 -0.388147 -0.114993
C -2.823971 0.970149 -0.303266
C -1.393285 1.237443 -0.277755
C -0.233066 -3.360203 0.532470
C -2.602091 -2.793777 0.287801
C 1.699569 -1.029927 -1.984105
C -1.609416 -3.747108 0.508170
C -3.727156 2.068441 -0.510562
C -0.942204 2.592530 -0.458249
C 5.256598 2.273932 1.202692
C 5.670624 1.651646 -1.127109
C -3.255429 3.368375 -0.684313
C -1.845105 3.632665 -0.656322
H 4.181415 -1.379877 0.295010
H 4.226781 -0.834332 -1.414257
H 3.078623 1.366344 -0.596021
H 3.257526 0.724152 1.064407
H 0.540130 -4.106412 0.743043
H -3.647240 -3.127435 0.281638
H 0.787297 -1.639030 -2.078476
H 2.416291 -1.352499 -2.762126
H 1.422437 0.027218 -2.155653
H -1.879485 -4.795425 0.672355
H -4.812197 1.906125 -0.537529
H 0.138999 2.760202 -0.425025
H 4.695533 3.217395 0.977597
H 6.325743 2.534155 1.310019
H 4.900454 1.886773 2.173025
H 5.627860 0.822369 -1.854724
H 6.733173 1.925252 -0.995922
H 5.139557 2.530927 -1.577171
H -4.923784 -1.654527 0.026110
H -5.310251 0.016961 -0.241427
H -3.959817 4.192333 -0.841002
H -1.484733 4.658626 -0.789879


