%chk=000055755.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055755

0 1
 O  -0.8762000     -0.2924000     -0.4351000    
 O    3.238600      -2.479100      -1.118700    
 O   -5.202400       2.222100     -0.7494000    
 O   -6.841500      0.8992000      0.4214000    
 O   -1.020800      -1.221900       1.685500    
 N    1.438600      0.3041000     -9.7700000E-02
 N    2.681300     -0.3342000     -0.2524000    
 C   0.9724000      -1.759400     -0.9365000    
 C   0.3472000      -2.990600      -1.469100    
 C   0.4586000     -0.6068000     -0.4775000    
 C   5.9200000E-02  -4.007400     -0.3644000    
 C    2.452900      -1.593600     -0.8199000    
 C  -0.6171000      -5.258800     -0.9252000    
 C    1.321300       1.684600     -0.4449000    
 C    3.872700      0.1094000      0.3831000    
 C  -0.9394000      -6.258200      0.1745000    
 C   0.6689000       2.584700      0.4122000    
 C    1.856100       2.166400      -1.650100    
 C    5.115300     -0.3996000     -1.1200000E-02
 C    3.815100       1.059900       1.408700    
 C   -1.511600     -0.6509000      0.7231000    
 C   -2.946100     -0.2661000      0.6636000    
 C   0.5539000       3.932700      7.2600000E-02
 C    1.741100       3.514500      -1.989500    
 C    6.284800      3.5900000E-02  0.6120000    
 C    4.984600       1.495500       2.031800    
 C    1.090000       4.397500      -1.128100    
 C    6.219400      0.9834000       1.633300    
 C   -3.301400      0.8504000     -6.8400003E-02
 C   -4.643800       1.168500     -9.3599997E-02
 C   -3.871800      -1.046000       1.348000    
 C   -5.579800      0.4132000      0.5750000    
 C   -5.225000     -0.7019000       1.306000    
 C   -6.595200       2.044900     -0.4191000    
 H   0.9881000      -3.437300      -2.238500    
 H  -0.5918000      -2.728100      -1.973000    
 H  -0.5890000      -3.561000      0.3985000    
 H   0.9942000      -4.289600      0.1361000    
 H   -1.544500      -4.982200      -1.440100    
 H   3.6200002E-02  -5.734700      -1.665600    
 H   -1.420800      -7.145300     -0.2489000    
 H   -1.619600      -5.822700      0.9134000    
 H  -2.9600000E-02  -6.579200      0.6916000    
 H   0.2459000       2.235800       1.351400    
 H    2.361700       1.494800      -2.340000    
 H    5.210500      -1.116800     -0.8202000    
 H    2.875900       1.452900       1.782500    
 H   4.6700001E-02   4.620100      0.7431000    
 H    2.157000       3.876400      -2.925300    
 H    7.247000     -0.3581000      0.2981000    
 H    4.933500       2.226000       2.833800    
 H    1.000100       5.447000      -1.392600    
 H    7.129900       1.321900       2.119200    
 H   -2.585100       1.471400     -0.5937000    
 H   -3.566600      -1.922000       1.913300    
 H   -5.965600      -1.294700       1.830700    
 H   -7.163900       1.927100      -1.348600    
 H   -6.949900       2.943100      9.9200003E-02


%chk=000055755-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055755

0 1
O -0.919547 -0.189703 -0.296627
O 3.236042 -2.547494 -1.231693
O -5.245733 2.407975 -1.241343
O -6.976410 1.506849 0.158915
O -1.487547 -1.724377 1.399755
N 1.414013 0.272670 -0.039672
N 2.638958 -0.369315 -0.406898
C 0.892330 -1.837055 -0.856170
C 0.166719 -3.091501 -1.253901
C 0.393833 -0.649321 -0.372837
C 0.324156 -4.232413 -0.209850
C 2.353473 -1.706390 -0.891989
C -0.410846 -5.521662 -0.636995
C 1.278323 1.703972 -0.212176
C 3.884392 0.075553 0.142140
C -0.254860 -6.660411 0.393998
C 0.372080 2.403404 0.620349
C 2.042516 2.395078 -1.183098
C 5.086720 -0.306312 -0.507953
C 3.927398 0.868136 1.317566
C -1.838759 -0.811374 0.629382
C -3.181942 -0.204389 0.504487
C 0.211454 3.796037 0.457645
C 1.888184 3.791025 -1.321093
C 6.324053 0.109796 0.027149
C 5.172813 1.289847 1.827945
C 0.969410 4.496403 -0.509851
C 6.377032 0.914239 1.189050
C -3.438332 0.866023 -0.410137
C -4.739497 1.355567 -0.441009
C -4.211922 -0.726681 1.334364
C -5.763703 0.831258 0.383911
C -5.528925 -0.212066 1.286807
C -6.696226 2.488713 -0.931937
H 0.573984 -3.442153 -2.222700
H -0.908675 -2.877760 -1.408722
H -0.066041 -3.881225 0.764369
H 1.402370 -4.444848 -0.076738
H -1.488185 -5.298959 -0.783559
H -0.023044 -5.857013 -1.621021
H -0.784202 -7.576352 0.071812
H -0.662097 -6.360438 1.377935
H 0.811430 -6.917499 0.537722
H -0.189973 1.863330 1.388025
H 2.747528 1.846309 -1.814257
H 5.041379 -0.938268 -1.397236
H 3.000738 1.140488 1.830166
H -0.494880 4.334849 1.098477
H 2.483730 4.325977 -2.068818
H 7.250227 -0.194461 -0.472735
H 5.200004 1.905563 2.733845
H 0.851468 5.579190 -0.624194
H 7.341592 1.240472 1.592641
H -2.645746 1.267485 -1.043122
H -3.963999 -1.545064 2.017005
H -6.326272 -0.607864 1.919567
H -7.276800 2.199973 -1.825107
H -6.933984 3.500983 -0.567187


