%chk=000064381.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064381

0 1
 O  -0.4569000      -1.906800      -1.754200    
 N   -1.034900      -1.664700      0.4839000    
 N   -4.119400      0.3430000     -8.6999997E-02
 C    2.060900     -0.8537000      4.5000002E-02
 C    2.193100       1.441100       1.113000    
 C    4.306500      0.1419000      0.6701000    
 C    2.997600       1.112100      -1.252400    
 C    1.376700      0.1407000       1.012700    
 C    3.484200      -1.155100      0.5710000    
 C    2.179100     -0.1875000      -1.346400    
 C    3.603500       1.114500       1.631400    
 C    2.301000       2.079900     -0.2815000    
 C    4.403900      0.7871000     -0.7222000    
 C    1.246000      -2.146100     -5.2400000E-02
 C  -0.1560000      -1.899200     -0.5636000    
 C   -2.441300      -1.395500      0.2893000    
 C   -2.700800      9.6100003E-02  0.1364000    
 C   -4.371400       1.773500     -0.2730000    
 C   -4.915200     -0.1708000       1.029500    
 C   -3.555400       2.329100      -1.427800    
 C   -6.401300      2.0500001E-02  0.7783000    
 H    1.698700       2.136300       1.800800    
 H    5.311200     -8.5400000E-02   1.043400    
 H    3.073900       1.573500      -2.243300    
 H   0.3755000      0.4164000      0.6660000    
 H    1.267600     -0.3050000       2.009400    
 H    3.430900      -1.633200       1.557600    
 H    3.992900      -1.863700     -9.5299996E-02
 H    2.655500     -0.8738000      -2.058300    
 H    1.192600      6.0199998E-02  -1.755200    
 H    3.541400      0.6721000       2.633200    
 H    4.190200       2.036500       1.726400    
 H    2.864800       3.018800     -0.2203000    
 H    1.301700       2.332900     -0.6567000    
 H    4.917900      0.1090000      -1.414500    
 H    5.004900       1.703300     -0.6691000    
 H    1.202400      -2.651800      0.9206000    
 H    1.725300      -2.853900     -0.7407000    
 H  -0.6918000      -1.682200       1.439800    
 H   -2.790600      -1.948600     -0.5902000    
 H   -2.911000      -1.821400       1.178800    
 H   -2.097700      0.4269000     -0.7160000    
 H   -2.330500      0.6343000       1.019500    
 H   -5.418700       1.948700     -0.5400000    
 H   -4.159600       2.348600      0.6372000    
 H   -4.798700      -1.252300       1.137000    
 H   -4.634300      0.2921000       1.983800    
 H   -2.500300       2.463600      -1.169400    
 H   -3.628500       1.697800      -2.320200    
 H   -3.935500       3.320500      -1.699900    
 H   -6.717200       1.060200      0.9074000    
 H   -6.691800     -0.3189000     -0.2220000    
 H   -6.975100     -0.5701000       1.501700    


%chk=000064381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064381

0 1
O -0.601331 -0.712355 -1.795620
N -1.180161 -1.758353 0.192109
N -4.385273 0.314620 0.263880
C 2.151369 -0.593623 -0.111624
C 2.601336 1.344825 1.491646
C 4.536724 -0.057802 0.645300
C 3.329441 1.516401 -0.932679
C 1.611955 0.210754 1.108957
C 3.543003 -1.188128 0.267364
C 2.342631 0.380609 -1.312383
C 3.978293 0.729540 1.861710
C 2.770756 2.305407 0.282985
C 4.707584 0.905225 -0.560997
C 1.197129 -1.772831 -0.479337
C -0.250979 -1.364611 -0.758459
C -2.612668 -1.441484 0.049248
C -2.962162 -0.007138 0.530599
C -4.573154 1.284230 -0.847006
C -5.182807 0.629929 1.476989
C -4.090348 0.751792 -2.210369
C -6.693607 0.380837 1.295364
H 2.198528 1.904800 2.359232
H 5.516404 -0.504452 0.908253
H 3.445814 2.200620 -1.796361
H 0.622166 0.646112 0.864823
H 1.466928 -0.471479 1.973837
H 3.431015 -1.888968 1.121263
H 3.941569 -1.773757 -0.586791
H 2.733243 -0.183931 -2.183762
H 1.364300 0.793813 -1.618512
H 3.870729 0.053645 2.734815
H 4.686480 1.530751 2.154325
H 3.459525 3.132355 0.549918
H 1.794886 2.761705 0.021553
H 5.123545 0.354674 -1.429114
H 5.427968 1.708718 -0.306244
H 1.233794 -2.525613 0.334943
H 1.583035 -2.258830 -1.396407
H -0.855229 -2.249779 1.025298
H -2.877322 -1.525115 -1.017463
H -3.208548 -2.182162 0.611551
H -2.286088 0.702547 0.010058
H -2.741129 0.077569 1.614395
H -5.652048 1.512862 -0.917946
H -4.052651 2.252310 -0.624136
H -4.819677 -0.026023 2.290672
H -5.020070 1.684665 1.820748
H -3.010151 0.518637 -2.210978
H -4.641956 -0.167002 -2.479621
H -4.271462 1.509686 -2.995500
H -7.139630 1.055141 0.542679
H -6.868814 -0.659273 0.968666
H -7.226883 0.549429 2.249730


