%chk=000059698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059698

0 1
 O   0.9348000      1.5000000E-03 -5.5700000E-02
 O   0.3693000     -0.9675000      -2.065700    
 O   -4.626400      -1.762800      -1.010000    
 O   -3.267200       2.096700       1.478800    
 O   -5.262600      0.3687000      0.6400000    
 N    2.697000       2.281000     -0.1621000    
 C    3.135300      0.9668000      0.3068000    
 C    2.321000     -0.1493000     -0.3588000    
 C    3.304300       2.590500      -1.456100    
 C    3.032300       3.312000      0.8195000    
 C    2.762900      -1.516100      0.1161000    
 C    2.812400       3.925900      -1.987900    
 C    4.535300       3.414800       1.016100    
 C    2.160900      -2.094400       1.233600    
 C    3.771800      -2.198300     -0.5638000    
 C   6.8800002E-02 -0.4519000      -1.000100    
 C    2.568000      -3.354700       1.671200    
 C    4.178900      -3.458700     -0.1262000    
 C   -1.334900     -0.2366000     -0.5669000    
 C    3.577000      -4.036800      0.9913000    
 C   -1.651600      0.8387000      0.2633000    
 C   -2.337500      -1.108100     -0.9922000    
 C   -3.656700     -0.9044000     -0.5874000    
 C   -2.970800       1.042400      0.6682000    
 C   -3.973300      0.1709000      0.2428000    
 C   -4.887400      -2.900300     -0.1902000    
 C   -2.184400       2.939300       1.867800    
 C   -6.077100       1.190900     -0.1924000    
 H    2.961900      0.8888000       1.389600    
 H    4.208000      0.7994000      0.1433000    
 H    2.472300     -0.1022000      -1.444400    
 H    4.399500       2.555800      -1.457400    
 H    2.986600       1.840700      -2.189900    
 H    2.609800       4.286700      0.5533000    
 H    2.559700       3.067100       1.779800    
 H    1.721500       4.007900      -1.929800    
 H    3.259900       4.777300      -1.466500    
 H    3.089300       4.023900      -3.043700    
 H    4.731700       4.136800       1.818200    
 H    5.062400       3.795900      0.1372000    
 H    5.001900       2.478400       1.334100    
 H    1.383000      -1.579800       1.790800    
 H    4.249900      -1.757700      -1.434600    
 H    2.101800      -3.803800       2.543400    
 H    4.965100      -3.989500     -0.6551000    
 H    3.894600      -5.017700       1.332700    
 H  -0.8451000       1.501600      0.5556000    
 H   -2.099200      -1.950000      -1.637900    
 H   -5.688000      -3.481500     -0.6556000    
 H   -5.214600      -2.589900      0.8071000    
 H   -3.995800      -3.530600     -0.1141000    
 H   -2.600800       3.720200       2.513000    
 H   -1.737100       3.446600       1.006100    
 H   -1.443800       2.397000       2.465500    
 H   -5.660800       2.200800     -0.2627000    
 H   -6.171900      0.7538000      -1.191400    
 H   -7.072000       1.254000      0.2568000    


%chk=000059698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059698

0 1
O 1.130130 -0.452789 0.112980
O 0.685368 -0.468674 -2.186823
O -4.345739 0.427478 -2.363029
O -3.355928 0.212238 2.412686
O -5.214994 0.540976 0.339421
N 2.532940 1.921349 -0.839479
C 3.166881 0.920199 0.030273
C 2.590414 -0.513564 -0.166435
C 3.017353 1.886203 -2.241574
C 2.398159 3.263881 -0.225994
C 3.228393 -1.505026 0.788607
C 2.128009 2.681177 -3.214274
C 3.718547 4.055876 -0.013807
C 2.813693 -1.587735 2.141903
C 4.300852 -2.318390 0.347285
C 0.284603 -0.344035 -1.002598
C 3.458113 -2.470755 3.035256
C 4.953231 -3.196737 1.242133
C -1.132450 -0.118491 -0.602244
C 4.533427 -3.275456 2.589728
C -1.518875 -0.049059 0.760143
C -2.099318 0.005454 -1.623914
C -3.452652 0.228510 -1.296478
C -2.871778 0.160737 1.092850
C -3.854970 0.333979 0.067302
C -5.534313 -0.452425 -2.418637
C -2.392340 -0.027350 3.490821
C -5.566315 1.699046 1.193350
H 2.997396 1.202782 1.086352
H 4.274786 0.844384 -0.109343
H 2.716952 -0.837712 -1.215378
H 4.078093 2.236204 -2.323369
H 3.001826 0.829642 -2.565136
H 1.710540 3.863251 -0.849890
H 1.892024 3.130461 0.749588
H 1.084388 2.330717 -3.136585
H 2.154359 3.769038 -3.021372
H 2.471304 2.519361 -4.252406
H 3.507533 5.026222 0.473658
H 4.225085 4.265220 -0.973528
H 4.423243 3.498637 0.630932
H 1.972412 -0.973862 2.481276
H 4.620548 -2.271858 -0.701221
H 3.124263 -2.533993 4.077322
H 5.779674 -3.822713 0.887384
H 5.033974 -3.960217 3.283497
H -0.752592 -0.171236 1.527234
H -1.801759 -0.057463 -2.673893
H -6.084251 -0.129442 -3.315641
H -6.154569 -0.333230 -1.515398
H -5.220234 -1.508263 -2.530889
H -2.983497 0.016131 4.417400
H -1.606708 0.752580 3.510347
H -1.923907 -1.025126 3.391280
H -5.155215 1.571813 2.207587
H -5.189664 2.633836 0.737577
H -6.666547 1.708421 1.216561


