%chk=000063948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063948

0 1
 O    5.653200      2.9700000E-02  -2.082800    
 O   -1.248500      0.5597000      -2.088000    
 N    2.960500     -0.4021000      -1.267600    
 N    1.274100     -0.1561000      0.3313000    
 N   0.5053000      0.2589000       2.375100    
 N   -2.023000       1.084700      7.4000001E-02
 N   -3.838900     -0.1595000      0.9766000    
 C    1.580600      3.6300000E-02  -1.069200    
 C    3.331700     -0.3307000      -2.687600    
 C    3.886100      0.4085000     -0.4639000    
 C   0.6346000      0.7283000       1.154500    
 C    1.577600      -1.270900       1.069900    
 C    4.778400     -0.7815000      -2.867800    
 C    5.320100     -5.8699999E-02 -0.6969000    
 C   0.1643000       2.021200      0.7089000    
 C    1.087700     -0.9874000       2.341800    
 C   -1.114100       2.192000      0.1885000    
 C    2.219100      -2.466600      0.7446000    
 C    1.238000      -1.941700       3.362100    
 C    1.023200       3.115900      0.8075000    
 C   -1.543600       3.445900     -0.2344000    
 C    2.359900      -3.405200       1.772100    
 C    1.878900      -3.149300       3.058200    
 C   -2.933300      0.7637000       1.083700    
 C   -1.991000      0.3513000      -1.131200    
 C   0.5985000       4.375700      0.3851000    
 C  -0.6848000       4.540800     -0.1359000    
 C   -3.000100     -0.7221000      -1.248900    
 C   -3.897500     -0.9150000     -0.1987000    
 C   -2.864100       1.466800       2.424100    
 C   -3.069900      -1.512100      -2.402700    
 C   -4.871800      -1.913300     -0.3146000    
 C   -4.044800      -2.503400      -2.505100    
 C   -4.946300      -2.703700      -1.462400    
 H   0.8961000     -0.6106000      -1.626700    
 H    1.430800       1.078000      -1.365600    
 H    3.220200      0.6966000      -3.058400    
 H    2.679700     -0.9796000      -3.283300    
 H    3.701600      0.3438000      0.6124000    
 H    3.803300       1.465800     -0.7502000    
 H    4.910900      -1.835000      -2.592800    
 H    5.074900     -0.6729000      -3.915900    
 H    6.015600      0.5842000     -0.1479000    
 H    5.472600      -1.087200     -0.3476000    
 H    2.575100      -2.699600     -0.2516000    
 H   0.8672000      -1.752600       4.364300    
 H    2.027300       3.004800       1.210100    
 H   -2.541400       3.585900     -0.6416000    
 H    2.847300      -4.354400       1.563400    
 H    2.001800      -3.899000       3.835600    
 H    1.267300       5.228000      0.4614000    
 H   -1.015300       5.521700     -0.4648000    
 H   -2.901800       2.550500       2.287400    
 H   -1.934700       1.205100       2.933700    
 H   -3.704300       1.168500       3.058300    
 H   -2.378600      -1.369800      -3.228600    
 H   -5.579000      -2.084100      0.4937000    
 H   -4.102300      -3.118300      -3.398500    
 H   -5.705900      -3.475900      -1.541400    


%chk=000063948-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063948

0 1
O 6.055361 0.364952 -2.065257
O -1.235146 0.415294 -1.900951
N 3.328476 -0.215507 -1.293275
N 1.429269 -0.263561 0.226128
N 0.171079 -0.016550 2.132709
N -2.166173 1.082251 0.153267
N -4.008328 -0.076699 1.181222
C 1.870903 -0.038671 -1.159304
C 3.757422 -0.320109 -2.711675
C 4.126241 0.803439 -0.565800
C 0.566679 0.558785 0.980423
C 1.584141 -1.457353 0.956203
C 5.257821 -0.652247 -2.769943
C 5.618608 0.451065 -0.661084
C 0.148961 1.916055 0.552206
C 0.798287 -1.283316 2.145117
C -1.201343 2.170980 0.200693
C 2.309014 -2.640089 0.698423
C 0.733128 -2.312792 3.111773
C 1.069837 2.992919 0.523691
C -1.620156 3.464920 -0.172508
C 2.225088 -3.658821 1.670700
C 1.451456 -3.498827 2.859244
C -3.063447 0.850141 1.227597
C -2.129143 0.247489 -1.015755
C 0.654778 4.292111 0.160610
C -0.694718 4.530578 -0.186696
C -3.197444 -0.761534 -1.066340
C -4.110899 -0.878415 0.030538
C -2.876183 1.661455 2.482475
C -3.321933 -1.612008 -2.196663
C -5.145621 -1.853405 -0.032119
C -4.349637 -2.566970 -2.245124
C -5.262724 -2.684598 -1.157673
H 1.371541 -0.769495 -1.822203
H 1.510221 0.971107 -1.455061
H 3.574040 0.630690 -3.270704
H 3.179787 -1.124092 -3.206755
H 3.817099 0.808594 0.495885
H 3.960795 1.826853 -0.987806
H 5.435529 -1.649997 -2.313153
H 5.625544 -0.648086 -3.809164
H 6.244194 1.236207 -0.205823
H 5.803218 -0.518388 -0.150394
H 2.922687 -2.744244 -0.199762
H 0.135564 -2.182262 4.019022
H 2.110551 2.809961 0.811632
H -2.663089 3.624346 -0.465823
H 2.772791 -4.594802 1.513143
H 1.418230 -4.316442 3.587639
H 1.378819 5.113589 0.151727
H -1.022610 5.534877 -0.474578
H -2.935400 2.748351 2.298548
H -1.880258 1.440124 2.911425
H -3.657493 1.368281 3.197791
H -2.604095 -1.495264 -3.015127
H -5.829861 -1.930876 0.817999
H -4.451352 -3.222698 -3.116255
H -6.061605 -3.433303 -1.199357


