%chk=000048611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048611

0 1
 O   -4.984300     -0.5417000     -0.1390000    
 O    4.984100     -0.5413000      0.1409000    
 O   -5.674600       1.036100       1.400800    
 O    5.676600       1.030800      -1.403700    
 N   -1.437200      -1.495700      0.1548000    
 N    1.437400      -1.496500     -0.1544000    
 C   -7.221700      0.1632000     -0.2240000    
 C    7.221300      0.1641000      0.2265000    
 C   -7.342900       1.193800      -1.352100    
 C   -8.358700      0.4635000      0.7539000    
 C    7.340900       1.198900       1.351000    
 C    8.359700      0.4608000     -0.7509000    
 C   -8.603900       1.996200      -1.049500    
 C   -8.748900       1.904700      0.4588000    
 C    8.602300       2.000200       1.047200    
 C    8.749500       1.903100     -0.4606000    
 C  -0.7164000     -0.2912000     -0.2750000    
 C  -0.7167000      -2.702300     -0.2697000    
 C   0.7163000     -0.2899000      0.2692000    
 C   0.7164000      -2.701600      0.2734000    
 C   -2.803000      -1.496600     -0.3652000    
 C    2.802600      -1.495400      0.3675000    
 C   -5.892400      0.2905000      0.4555000    
 C    5.893000      0.2887000     -0.4553000    
 C   -3.673300     -0.5205000      0.4101000    
 C    3.674000     -0.5221000     -0.4101000    
 H   -7.330200     -0.8625000     -0.5961000    
 H    7.329300     -0.8602000      0.6026000    
 H   -7.419500      0.7078000      -2.330600    
 H   -6.473300       1.861000      -1.389800    
 H   -8.101900      0.3164000       1.807600    
 H   -9.210600     -0.1913000      0.5305000    
 H    7.416000      0.7164000       2.331400    
 H    6.471100       1.866200       1.385000    
 H    8.104500      0.3098000      -1.804400    
 H    9.211300     -0.1931000     -0.5238000    
 H   -8.532000       3.029700      -1.400500    
 H   -9.468200       1.531700      -1.539300    
 H   -9.764100       2.136200      0.7934000    
 H   -8.057800       2.598100      0.9517000    
 H    8.529800       3.035000       1.394300    
 H    9.465900       1.537500       1.540000    
 H    9.765200       2.133400     -0.7946000    
 H    8.059000       2.594800     -0.9570000    
 H  -0.6924000     -0.2180000      -1.371000    
 H   -1.201700      0.6153000      0.1004000    
 H   -1.226200      -3.594700      0.1139000    
 H  -0.6981000      -2.781200      -1.365200    
 H   0.6922000     -0.2113000       1.364800    
 H    1.201700      0.6148000     -0.1106000    
 H    1.225800      -3.595300     -0.1073000    
 H   0.6975000      -2.777100       1.369200    
 H   -3.254700      -2.491600     -0.2519000    
 H   -2.837700      -1.280700      -1.441300    
 H    3.254500      -2.490800      0.2585000    
 H    2.835800      -1.275600       1.442900    
 H   -3.717300     -0.8104000       1.467300    
 H   -3.294500      0.5038000      0.3391000    
 H    3.719500     -0.8160000      -1.466100    
 H    3.295000      0.5025000     -0.3434000    


%chk=000048611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048611

0 1
O -5.114926 -0.472162 0.091510
O 5.115146 -0.477075 -0.087604
O -5.733009 1.327766 1.435027
O 5.734204 1.308704 -1.449379
N -1.447325 -1.246075 0.141130
N 1.446947 -1.248289 -0.128869
C -7.409903 0.239374 -0.027206
C 7.410760 0.233448 0.023074
C -7.638420 1.205301 -1.237976
C -8.591967 0.547301 0.948744
C 7.637362 1.207127 1.228164
C 8.593097 0.536202 -0.954073
C -9.179232 1.240606 -1.359222
C -9.655527 1.336895 0.115781
C 9.178102 1.246544 1.349090
C 9.653932 1.334963 -0.126483
C -0.710910 -0.029947 -0.288422
C -0.711168 -2.463230 -0.283780
C 0.711892 -0.029127 0.294207
C 0.709737 -2.462255 0.303146
C -2.863542 -1.256551 -0.294624
C 2.863543 -1.257499 0.305601
C -6.043482 0.446232 0.599795
C 6.044375 0.435100 -0.605746
C -3.715475 -0.338454 0.590082
C 3.715528 -0.346727 -0.586614
H -7.464363 -0.799535 -0.397703
H 7.465852 -0.803024 0.400247
H -7.126577 0.858808 -2.152480
H -7.256057 2.213410 -0.986020
H -8.226591 1.149548 1.798370
H -9.005695 -0.391103 1.358363
H 7.126274 0.864912 2.144686
H 7.252844 2.212947 0.970377
H 8.227435 1.130443 -1.809185
H 9.009546 -0.404642 -1.355260
H -9.538371 2.079262 -1.982240
H -9.540549 0.301080 -1.821343
H -10.676516 0.939004 0.253081
H -9.671411 2.396303 0.432605
H 9.535449 2.089764 1.966963
H 9.541549 0.310627 1.816839
H 10.676346 0.939936 -0.261436
H 9.665877 2.392377 -0.450109
H -0.644292 0.029183 -1.404230
H -1.244524 0.868195 0.070538
H -1.256388 -3.353107 0.081916
H -0.637114 -2.532059 -1.398388
H 0.645383 0.036058 1.409690
H 1.246426 0.866531 -0.069550
H 1.254038 -3.354785 -0.057409
H 0.635684 -2.524567 1.418137
H -3.251066 -2.287186 -0.198173
H -2.987287 -0.958450 -1.364829
H 3.249742 -2.289261 0.216172
H 2.988789 -0.951882 1.373496
H -3.675038 -0.654734 1.646799
H -3.418713 0.723503 0.531308
H 3.674463 -0.671087 -1.640844
H 3.419116 0.715762 -0.535945


