%chk=000096840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096840

0 1
 O  -3.5000001E-03  0.7807000     -1.4000000E-03
 N  -0.6957000       2.908100      1.2000001E-03
 N   0.6868000       2.908700      8.9999998E-04
 C   -4.895200     -0.1116000       0.000000    
 C    4.896700     -0.1118000     -9.9999997E-05
 C   -2.358200       1.048700     -3.9999999E-04
 C    2.351000       1.050500     -9.9999997E-05
 C   -6.211000     -0.7133000      9.9999997E-05
 C    6.212900     -0.7126000       0.000000    
 C   -1.046500       1.649200     -3.0000001E-04
 C    1.046800       1.646500     -3.9999999E-04
 C   -3.758600     -0.9201000     -1.4000000E-03
 C    3.760700     -0.9210000     -6.0000003E-04
 C   -4.763400       1.277100      1.2000001E-03
 C    4.764000       1.276800      3.9999999E-04
 C   -2.490100     -0.3399000     -1.6000000E-03
 C    2.491700     -0.3417000     -6.0000003E-04
 C   -3.494900       1.857200      8.9999998E-04
 C    3.495100       1.856000      5.0000002E-04
 C   -6.846000      -1.002300      -1.207800    
 C    6.847100      -1.002800       1.208100    
 C   -6.844700      -1.004500       1.208000    
 C    6.847600      -1.001800      -1.207900    
 C   -8.114500      -1.582500      -1.207800    
 C    8.116000      -1.582300       1.208200    
 C   -8.113000      -1.584800       1.208300    
 C    8.116400      -1.581300      -1.207900    
 C   -8.748000      -1.873800      3.0000001E-04
 C    8.750600      -1.871500      1.9999999E-04
 H   -3.843900      -2.004300     -2.3000001E-03
 H    3.846800      -2.005100     -1.1000000E-03
 H   -5.639200       1.921800      2.3000001E-03
 H    5.639400       1.922100      7.9999998E-04
 H   -1.628200      -1.002300     -2.6000000E-03
 H    1.630500      -1.005500     -1.1000000E-03
 H   -3.415700       2.941700      1.8000000E-03
 H    3.416500       2.940800      8.9999998E-04
 H   -6.366300     -0.7818000      -2.158500    
 H    6.366500     -0.7840000       2.158800    
 H   -6.363900     -0.7857000       2.158600    
 H    6.367500     -0.7822000      -2.158600    
 H   -8.608900      -1.807500      -2.148200    
 H    8.609800      -1.808200       2.148700    
 H   -8.606500      -1.811600       2.148800    
 H    8.610700      -1.806600      -2.148300    
 H   -9.735600      -2.325600      5.0000002E-04
 H    9.738600      -2.322600      3.0000001E-04


%chk=000096840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096840

0 1
O 0.000126 0.543251 0.000356
N -0.716175 2.708411 0.001649
N 0.715575 2.709077 0.001513
C -5.127905 -0.130596 0.000088
C 5.128796 -0.129197 0.000014
C -2.463057 0.883641 0.000580
C 2.463680 0.884883 0.000572
C -6.531196 -0.666285 -0.000156
C 6.532100 -0.664761 -0.000263
C -1.110309 1.424828 0.000861
C 1.111106 1.425943 0.000868
C -4.015307 -1.013441 -0.000368
C 4.016171 -1.012056 -0.000008
C -4.882974 1.269839 0.000792
C 4.883633 1.271214 0.000318
C -2.696390 -0.517724 -0.000128
C 2.697283 -0.516491 0.000271
C -3.569796 1.776106 0.001039
C 3.570474 1.777359 0.000597
C -7.205054 -0.924222 -1.222856
C 7.206075 -0.923515 1.222200
C -7.205072 -0.925273 1.222316
C 7.205882 -0.922828 -1.222978
C -8.524584 -1.431486 -1.222958
C 8.525641 -1.430678 1.221823
C -8.524598 -1.432540 1.221960
C 8.525447 -1.429995 -1.223094
C -9.188524 -1.687334 -0.000616
C 9.189496 -1.685606 -0.000758
H -4.189467 -2.095002 -0.000912
H 4.190297 -2.093624 -0.000245
H -5.731766 1.962329 0.001148
H 5.732293 1.963869 0.000329
H -1.847642 -1.208976 -0.000488
H 1.848542 -1.207772 0.000251
H -3.383430 2.854839 0.001581
H 3.384090 2.856114 0.000828
H -6.692844 -0.726652 -2.171632
H 6.693933 -0.726667 2.171159
H -6.692870 -0.728522 2.171266
H 6.693589 -0.725442 -2.171746
H -9.032033 -1.625780 -2.174754
H 9.033187 -1.625612 2.173436
H -9.032071 -1.627661 2.173573
H 9.032845 -1.624405 -2.174892
H -10.211642 -2.080034 -0.000787
H 10.212643 -2.078226 -0.000950


