%chk=000056802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056802

0 1
 O   -3.773900     -0.5776000      0.3843000    
 O  -0.7868000       2.279000       1.215100    
 O   -2.963600      0.9801000       1.867600    
 N    4.313100      0.4735000      3.1999999E-03
 N   0.2734000       1.856200     -0.7908000    
 C    4.956200     -0.6073000     -0.7434000    
 C    3.954700     -0.1166000       1.292600    
 C    5.842700      -1.264100      0.3043000    
 C    5.182600     -0.9446000       1.642100    
 C    3.160900       1.022800     -0.6960000    
 C    2.553200       2.173300      0.1082000    
 C   -1.785900      0.5945000     -0.2649000    
 C    1.349300       2.798200     -0.5908000    
 C   -2.525800       1.105800      -1.544700    
 C  -0.7328000       1.666400      0.1493000    
 C   -1.036900     -0.7440000     -0.4534000    
 C   -2.884700      0.3750000      0.8060000    
 C   -3.242800       2.444700      -1.370400    
 C  -0.3653000      -1.262500      0.6206000    
 C   -1.085100      -1.340800      -1.684400    
 C   0.3106000      -2.470800      0.4506000    
 C  -0.4093000      -2.549100      -1.854200    
 C   0.2885000      -3.114100     -0.7867000    
 C   -4.856700     -0.8546000       1.278000    
 C   -5.735500      -1.923600      0.6576000    
 H    4.224300      -1.334900      -1.117400    
 H    5.541300     -0.2341000      -1.589800    
 H    3.772600      0.6295000       2.071900    
 H    3.076800     -0.7705000       1.215200    
 H    5.926100      -2.343300      0.1406000    
 H    6.853700     -0.8409000      0.2796000    
 H    5.875300     -0.3711000       2.269300    
 H    4.910700      -1.854300       2.187000    
 H    2.410200      0.2449000     -0.8833000    
 H    3.478200       1.407300      -1.673400    
 H    3.309000       2.951400      0.2723000    
 H    2.221200       1.830300       1.094700    
 H    1.635500       3.176100      -1.578100    
 H   0.9804000       3.646100     -3.3000000E-03
 H   -1.822400       1.233900      -2.377200    
 H   -3.276900      0.3790000      -1.880600    
 H   0.2745000       1.313700      -1.648800    
 H   -4.016500       2.390900     -0.5989000    
 H   -3.731500       2.727900      -2.308700    
 H   -2.545400       3.245400      -1.107400    
 H  -0.3410000     -0.7709000       1.587700    
 H   -1.611200     -0.9481000      -2.544300    
 H   0.8553000      -2.909800       1.281400    
 H  -0.4259000      -3.050900      -2.817400    
 H   0.8153000      -4.054500     -0.9191000    
 H   -4.459800      -1.210100       2.235300    
 H   -5.440800      5.8200002E-02   1.439400    
 H   -6.123000      -1.589200     -0.3104000    
 H   -6.577800      -2.164800       1.311900    
 H   -5.158600      -2.835500      0.4716000    


%chk=000056802-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056802

0 1
O -3.902707 -0.257264 0.591293
O -1.078823 2.470996 0.529095
O -1.951113 -0.118103 1.837771
N 4.438823 0.528388 0.390020
N 0.312914 1.502480 -1.061545
C 5.338105 -0.510068 -0.177909
C 4.045779 -0.001424 1.723449
C 6.244440 -0.892809 1.015806
C 5.346160 -0.650123 2.276516
C 3.316351 0.892974 -0.495728
C 2.510736 2.100424 0.024331
C -1.875715 0.404706 -0.594265
C 1.370885 2.521546 -0.933168
C -2.890500 0.980514 -1.637986
C -0.831634 1.536695 -0.288876
C -1.189273 -0.898427 -1.096483
C -2.547397 0.020621 0.747434
C -3.618886 2.278061 -1.231403
C -0.227752 -1.540691 -0.264790
C -1.475140 -1.474242 -2.360909
C 0.424642 -2.717163 -0.687321
C -0.819730 -2.654481 -2.784547
C 0.132557 -3.281538 -1.951831
C -4.610884 -0.737281 1.820228
C -6.062339 -0.983817 1.423311
H 4.760559 -1.406763 -0.527700
H 5.898397 -0.109723 -1.041934
H 3.660494 0.802702 2.373001
H 3.237554 -0.774332 1.624626
H 6.599730 -1.935459 0.941272
H 7.129506 -0.234550 1.045379
H 5.851599 0.026109 2.986469
H 5.120598 -1.588015 2.813534
H 2.625527 0.017712 -0.645290
H 3.739045 1.146072 -1.489400
H 3.202477 2.954505 0.157300
H 2.067966 1.880461 1.013228
H 1.775515 2.736970 -1.941488
H 0.887647 3.436250 -0.549338
H -2.332360 1.160025 -2.578374
H -3.645063 0.199485 -1.842473
H 0.485445 0.675868 -1.637248
H -4.219545 2.125790 -0.319062
H -4.303761 2.583566 -2.044075
H -2.917416 3.105801 -1.037633
H -0.009965 -1.119538 0.723279
H -2.212244 -1.014673 -3.024595
H 1.156866 -3.196396 -0.027907
H -1.058584 -3.082509 -3.764728
H 0.637896 -4.196441 -2.280676
H -4.103125 -1.653094 2.173399
H -4.506296 0.036965 2.601285
H -6.535000 -0.056096 1.057834
H -6.632795 -1.342550 2.299529
H -6.130466 -1.746617 0.628891


