%chk=000063443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063443

0 1
 O   -2.656600       2.107700     -0.7419000    
 N   0.7286000      0.3269000      0.6646000    
 N   -1.668200      0.2709000      0.3403000    
 N    3.744800      -1.784600      0.1266000    
 C  -0.5550000     -9.2799999E-02   1.236500    
 C    1.928600     -0.4136000       1.028200    
 C   0.8000000       1.605300      0.1252000    
 C    2.526200      -1.061100     -0.2144000    
 C  -0.3720000       2.258400     -0.2964000    
 C  -0.7286000      0.5105000       2.637000    
 C   -1.677800       1.545300     -0.2564000    
 C   -2.788700     -0.6347000      0.1991000    
 C    2.014000       2.300400     -3.0400001E-02
 C    4.740500     -0.8768000      0.6996000    
 C    4.292100      -2.458500      -1.052400    
 C  -0.3304000       3.559500     -0.8239000    
 C   -2.842600      -1.537900     -0.8589000    
 C   -3.814600     -0.5889000       1.139100    
 C    2.057300       3.594900     -0.5556000    
 C   0.8844000       4.226200     -0.9473000    
 C    5.991300      -1.629300       1.121200    
 C    3.274900      -3.406700      -1.664300    
 C   -3.931000      -2.402200     -0.9777000    
 C   -1.753600      -1.605400      -1.880100    
 C   -4.902800      -1.453400       1.020300    
 C   -4.960900      -2.360000     -3.7999999E-02
 H  -0.5591000      -1.187000       1.326000    
 H    2.587400      0.2519000       1.588200    
 H    1.671600      -1.212000       1.738200    
 H    1.754600      -1.735500     -0.6019000    
 H    2.718900     -0.3178000     -0.9983000    
 H   -1.639600      0.1356000       3.113300    
 H   0.1162000      0.2492000       3.283300    
 H  -0.7996000       1.603200       2.609200    
 H    2.965300       1.862200      0.2578000    
 H    5.006800     -6.8300001E-02  7.3000002E-03
 H    4.385900     -0.4174000       1.624400    
 H    4.632500      -1.743800      -1.812400    
 H    5.148600      -3.082200     -0.7766000    
 H   -1.233600       4.066300      -1.153100    
 H   -3.787000      0.1183000       1.963300    
 H    3.010100       4.106700     -0.6566000    
 H   0.9158000       5.231400      -1.356500    
 H    5.750400      -2.519600       1.712400    
 H    6.609800      -1.924600      0.2681000    
 H    6.616000     -0.9821000       1.747500    
 H    2.803700      -4.043600     -0.9077000    
 H    2.496300      -2.881300      -2.226100    
 H    3.777000      -4.069300      -2.378700    
 H   -3.992700      -3.114700      -1.796000    
 H   -1.947000      -2.378100      -2.632000    
 H   -1.663900     -0.6513000      -2.409500    
 H  -0.7970000      -1.847300      -1.405500    
 H   -5.705900      -1.419100       1.750700    
 H   -5.808600      -3.032700     -0.1306000    


%chk=000063443-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063443

0 1
O -2.765753 2.244880 -0.672200
N 0.730430 0.421475 0.615753
N -1.661497 0.353697 0.177040
N 3.837604 -1.629316 -0.214737
C -0.565840 -0.118971 1.071255
C 1.940813 -0.390586 0.834978
C 0.781739 1.785920 0.311550
C 2.617154 -0.833738 -0.488821
C -0.444576 2.467514 0.005833
C -0.863766 0.237747 2.550824
C -1.723575 1.719046 -0.170970
C -2.789868 -0.530399 -0.022566
C 2.000493 2.526177 0.273454
C 5.051765 -0.783810 -0.046425
C 4.037834 -2.763264 -1.156529
C -0.432462 3.854345 -0.274932
C -2.623679 -1.737253 -0.763972
C -4.051501 -0.188258 0.523883
C 1.985047 3.905615 -0.007565
C 0.769582 4.586121 -0.272410
C 6.119018 -1.431918 0.855813
C 3.060137 -3.928137 -0.910140
C -3.746494 -2.593474 -0.901043
C -1.303608 -2.099587 -1.421829
C -5.155542 -1.049274 0.363460
C -5.000452 -2.264239 -0.343433
H -0.522246 -1.216403 0.973180
H 2.670919 0.151948 1.468923
H 1.665840 -1.299596 1.397568
H 1.895143 -1.449578 -1.053214
H 2.827547 0.061813 -1.119426
H -1.839400 -0.182232 2.853403
H -0.082495 -0.180278 3.211531
H -0.891755 1.332496 2.688246
H 2.955471 2.032663 0.476271
H 5.500990 -0.517708 -1.036528
H 4.736404 0.171409 0.415311
H 3.966791 -2.428091 -2.222169
H 5.068194 -3.136966 -1.014737
H -1.391184 4.322546 -0.522147
H -4.159406 0.763719 1.050813
H 2.932623 4.457031 -0.017964
H 0.769765 5.658782 -0.489083
H 5.694923 -1.645257 1.852405
H 6.491968 -2.383244 0.435356
H 6.987002 -0.756783 0.974479
H 3.161743 -4.296086 0.125772
H 2.007620 -3.625096 -1.064849
H 3.269899 -4.761942 -1.605772
H -3.632966 -3.522843 -1.472692
H -1.476903 -2.665755 -2.353371
H -0.720580 -1.193976 -1.663640
H -0.675192 -2.739110 -0.768171
H -6.128481 -0.773491 0.784320
H -5.852438 -2.941085 -0.471887


