%chk=000056750.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056750

0 1
 O    1.204500      -2.073500      -1.423400    
 O   -1.525500      -2.234600      -1.261900    
 O   -2.059500       1.542600      0.8513000    
 N    2.906800      0.1519000     -0.4680000    
 N  -0.1153000      -1.141900      0.2842000    
 N   -2.869900      -2.501500      -1.491200    
 C    2.278700     -0.8679000      0.3731000    
 C    3.259100      -1.980200      0.8188000    
 C    4.065500      0.7300000      0.2109000    
 C    1.941600       1.194800     -0.8117000    
 C    1.072000      -1.444700     -0.3771000    
 C    3.860700      -2.773000     -0.3476000    
 C    2.591100      -2.943400       1.806100    
 C    3.655600       1.433800       1.493500    
 C    2.559300       2.232000      -1.734200    
 C   -1.400700      -1.510800     -0.1202000    
 C   -2.638800      -1.287000      0.4214000    
 C   -2.970800     -0.5482000       1.650700    
 C   -3.515200      -1.925800     -0.4728000    
 C   -3.218600      0.9528000       1.426100    
 C   -2.240600       2.933500      0.6243000    
 C  -0.9687000       3.501200      1.0500000E-02
 C   -4.983400      -2.012900     -0.3978000    
 C   -1.087600       5.000800     -0.2461000    
 C   0.1997000       5.571800     -0.8190000    
 H    1.892600     -0.4083000       1.290800    
 H    4.086500      -1.547400       1.390400    
 H    4.850200     -6.6000000E-03  0.4065000    
 H    4.582400       1.442600     -0.4420000    
 H    1.120800      0.7636000      -1.396900    
 H    1.469300       1.670800      5.2600000E-02
 H    4.281100      -2.116300      -1.115000    
 H    4.677500      -3.406500      1.7400000E-02
 H    3.133600      -3.441100     -0.8180000    
 H    2.183100      -2.400600       2.665400    
 H    1.775400      -3.505100       1.339100    
 H    3.317400      -3.669800       2.187100    
 H  -8.3800003E-02 -0.6001000       1.143600    
 H    2.968400       2.270800       1.347300    
 H    3.254600      0.7655000       2.259500    
 H    4.556200       1.875200       1.939200    
 H    3.222100       2.923100      -1.204900    
 H    1.766800       2.842000      -2.182300    
 H    3.112800       1.767000      -2.557400    
 H   -2.148800     -0.6623000       2.369300    
 H   -3.856900     -0.9854000       2.126300    
 H   -4.073600       1.094900      0.7543000    
 H   -3.440100       1.431100       2.387200    
 H   -3.086300       3.087600     -5.6000002E-02
 H   -2.455500       3.434800       1.575300    
 H  -0.1268000       3.302600      0.6848000    
 H  -0.7439000       2.970400     -0.9226000    
 H   -5.426400      -1.014100     -0.3290000    
 H   -5.408700      -2.504900      -1.279000    
 H   -5.288700      -2.584700      0.4845000    
 H   -1.911000       5.195600     -0.9430000    
 H   -1.324200       5.521100      0.6894000    
 H   0.4434000       5.103000      -1.777600    
 H   9.6100003E-02   6.648700     -0.9847000    
 H    1.039300       5.412000     -0.1349000    


%chk=000056750-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056750

0 1
O 1.146517 -2.146509 -1.370433
O -1.732492 -2.079875 -1.916828
O -1.866067 1.063406 1.295373
N 2.894159 0.239205 -0.952498
N -0.451992 -0.807460 -0.298292
N -3.109146 -2.613554 -2.029769
C 1.929269 -0.265693 0.055862
C 2.609510 -1.063130 1.225032
C 4.059669 0.974557 -0.399500
C 2.212654 0.928440 -2.081655
C 0.869290 -1.167865 -0.631216
C 3.460013 -2.255269 0.732510
C 1.558659 -1.518117 2.268179
C 3.756753 2.306583 0.343212
C 3.150367 1.286243 -3.249055
C -1.620182 -1.468194 -0.668782
C -2.824040 -1.554246 0.028334
C -3.102295 -1.052419 1.424094
C -3.706162 -2.267475 -0.860876
C -3.198338 0.478771 1.548646
C -1.892891 2.538064 1.338802
C -0.490297 3.079145 1.051166
C -5.136299 -2.670976 -0.626415
C -0.447611 4.624770 1.114314
C 0.951228 5.193226 0.794645
H 1.373124 0.583828 0.539405
H 3.277837 -0.342705 1.740453
H 4.614598 0.298329 0.274046
H 4.744387 1.181261 -1.240717
H 1.443524 0.236387 -2.468084
H 1.671119 1.852006 -1.742313
H 4.177850 -1.940709 -0.043940
H 4.015774 -2.702497 1.578198
H 2.821094 -3.031545 0.278594
H 0.927090 -0.675117 2.611567
H 0.895091 -2.299864 1.855108
H 2.065257 -1.945237 3.152837
H -0.630464 -0.016155 0.348129
H 3.238104 3.029313 -0.312718
H 3.126323 2.145485 1.237638
H 4.701276 2.773559 0.679333
H 3.859066 2.096238 -2.998743
H 2.551244 1.626194 -4.113414
H 3.726629 0.396250 -3.557716
H -2.318508 -1.402535 2.125126
H -4.058531 -1.476304 1.783819
H -3.924468 0.888953 0.814544
H -3.525447 0.762616 2.572544
H -2.619200 2.912076 0.583860
H -2.240430 2.862570 2.344538
H 0.221936 2.654677 1.786123
H -0.165146 2.738579 0.047919
H -5.778175 -1.789305 -0.445597
H -5.524126 -3.207904 -1.507244
H -5.223237 -3.338426 0.250704
H -1.186726 5.042905 0.400958
H -0.761131 4.960642 2.123748
H 1.270126 4.911136 -0.226448
H 0.959293 6.296293 0.858642
H 1.709470 4.806381 1.500853


