%chk=000002830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002830

0 1
 O    1.017000      -3.315600      0.4905000    
 O   -7.722100      -1.427600      -1.558000    
 O    6.593700     -0.7677000      -2.730800    
 N  -0.2758000      -1.347200      0.7599000    
 N   -2.145400      0.6272000      0.8507000    
 N    1.364600     -6.2799998E-02   1.685200    
 C   4.7899999E-02 -0.1016000       1.273700    
 C  -0.8680000      0.8886000       1.325800    
 C  -0.6004000       2.259000       1.865000    
 C   -2.483000     -0.6167000      0.3374000    
 C    1.839200      -1.248400       1.431400    
 C   -1.546400      -1.591100      0.2935000    
 C   0.8085000      -2.170000      0.8118000    
 C    3.223200      -1.716900       1.693000    
 C  -0.1157000       3.177900      0.7820000    
 C   -3.854500     -0.8299000     -0.1596000    
 C    4.122300      -1.463500      0.5127000    
 C   -1.033700       3.916800      4.4500001E-02
 C    1.246900       3.281500      0.5262000    
 C   -4.846700      -1.306900      0.7010000    
 C   -4.169600     -0.5549000      -1.492800    
 C    4.813300     -0.2630000      0.4251000    
 C    4.247900      -2.434000     -0.4715000    
 C   -6.144800      -1.507600      0.2315000    
 C   -5.467600     -0.7557000      -1.962300    
 C  -0.5831000       4.770700     -0.9623000    
 C    1.697400       4.135400     -0.4805000    
 C   -6.455200      -1.232100      -1.100200    
 C    5.646500     -2.8300000E-02 -0.6687000    
 C    5.081000      -2.199300      -1.565300    
 C   0.7824000       4.880100      -1.224800    
 C    5.780300     -0.9964000      -1.663900    
 H   0.1413000       2.218500       2.673900    
 H   -1.501300       2.670400       2.339300    
 H   -2.844500       1.359100      0.8779000    
 H   -1.736900      -2.583900     -9.8099999E-02
 H    3.212600      -2.782500       1.949300    
 H    3.609500      -1.196700       2.578100    
 H   -2.099800       3.840000      0.2395000    
 H    1.971800       2.712000       1.100700    
 H   -4.620900      -1.525600       1.742100    
 H   -3.411300     -0.1821000      -2.177200    
 H    4.714100      0.4986000       1.193400    
 H    3.711200      -3.375800     -0.4044000    
 H   -6.905200      -1.878800      0.9133000    
 H   -5.703500     -0.5389000      -3.000700    
 H   -1.295500       5.350400      -1.541900    
 H    2.760800       4.221100     -0.6843000    
 H    6.185200      0.9133000     -0.7341000    
 H    5.181800      -2.957600      -2.337000    
 H    1.133200       5.545000      -2.008600    
 H   -8.273100      -1.759300     -0.8283000    
 H    6.997300      0.1122000      -2.636500    


%chk=000002830-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002830

0 1
O 1.093107 -3.440337 0.954828
O -7.454135 -1.026081 -1.860474
O 6.998844 -2.120536 -2.497437
N -0.006307 -1.302121 0.957522
N -1.764161 0.789322 0.696864
N 1.703080 0.024111 1.789182
C 0.397949 0.031157 1.329641
C -0.498649 1.073843 1.202323
C -0.176926 2.493444 1.612930
C -2.174661 -0.515249 0.297930
C 2.122488 -1.267462 1.712227
C -1.274698 -1.551820 0.434797
C 1.085909 -2.186242 1.181308
C 3.507374 -1.714045 2.091934
C -0.544881 3.529303 0.550314
C -3.536947 -0.662007 -0.254742
C 4.444710 -1.805090 0.882286
C -1.504912 4.536975 0.818318
C 0.073335 3.495155 -0.727552
C -4.269368 -1.866738 -0.071802
C -4.159865 0.395091 -0.980790
C 5.473975 -0.853569 0.689915
C 4.291080 -2.843137 -0.076666
C -5.564300 -2.020531 -0.601104
C -5.458618 0.257702 -1.503388
C -1.839972 5.496190 -0.166887
C -0.258883 4.450475 -1.711461
C -6.163502 -0.953247 -1.315623
C 6.340797 -0.930614 -0.424167
C 5.146977 -2.932426 -1.191844
C -1.218133 5.454684 -1.434875
C 6.173353 -1.974995 -1.363374
H 0.902860 2.518234 1.844027
H -0.710631 2.728555 2.555808
H -2.432270 1.558146 0.615745
H -1.476576 -2.573776 0.113058
H 3.429954 -2.708777 2.570339
H 3.915547 -1.003544 2.831420
H -1.981444 4.582365 1.806040
H 0.818943 2.720258 -0.944397
H -3.832095 -2.682670 0.513150
H -3.612423 1.322806 -1.189257
H 5.602618 -0.041205 1.414815
H 3.486932 -3.576955 0.055225
H -6.110414 -2.959337 -0.442755
H -5.932552 1.064600 -2.069293
H -2.579297 6.273187 0.057268
H 0.229902 4.415879 -2.691502
H 7.138016 -0.186481 -0.555342
H 5.036683 -3.730078 -1.932622
H -1.473703 6.197379 -2.198653
H -7.862072 -1.912272 -1.695641
H 7.684857 -1.408119 -2.520966


