%chk=000105388.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105388

0 1
 O   -5.567600       1.892200     -0.2497000    
 O   -4.768300      -2.866500      2.4100000E-02
 O   -5.745000       4.133900      0.2683000    
 O   -2.744200      -3.726700      0.7229000    
 O    8.437500       1.161300       1.292600    
 O    8.596300      0.2717000     -0.7080000    
 N   -3.740200     -0.2485000     -0.1326000    
 N    1.784300      0.6706000     -0.1754000    
 N    2.384300     -0.3193000      0.3024000    
 N    7.917600      0.6145000      0.2900000    
 N    3.469800      -1.598400      -2.890600    
 C   -4.542200      0.1263000       1.015000    
 C   -4.383400     -0.8788000      -1.268100    
 C   -2.349100     -1.5100000E-02 -0.1384000    
 C   -4.871300       1.608400      0.9573000    
 C   -4.210600      -2.386200      -1.192600    
 C   -1.738600      0.5922000      0.9590000    
 C   -1.583700     -0.3918000      -1.242200    
 C  -0.3629000      0.8226000      0.9527000    
 C   0.3973000      0.4449000     -0.1510000    
 C  -0.2081000     -0.1615000      -1.248300    
 C   0.2686000       1.475900       2.138400    
 C   -5.954600       3.193400     -0.4856000    
 C   -3.936600      -3.522400      0.9054000    
 C    3.767900     -9.4700001E-02  0.2780000    
 C   -6.668100       3.308600      -1.798000    
 C   -4.687700      -3.953000       2.128200    
 C    4.542100     -0.4671000     -0.8210000    
 C    4.368600      0.5130000       1.380400    
 C    5.917000     -0.2317000     -0.8175000    
 C    6.517700      0.3760000      0.2850000    
 C    5.743400      0.7485000       1.383900    
 C    3.949600      -1.092300      -1.964700    
 H   -5.490000     -0.4275000      0.9898000    
 H   -4.082100     -0.1582000       1.967800    
 H   -5.459500     -0.6621000      -1.237400    
 H   -4.049100     -0.4725000      -2.229100    
 H   -5.513200       1.867600       1.807200    
 H   -3.973700       2.232900       1.002600    
 H   -4.771800      -2.850800      -2.011000    
 H   -3.167300      -2.689300      -1.320100    
 H   -2.289900      0.8969000       1.841700    
 H   -1.995600     -0.8629000      -2.127400    
 H   0.3800000     -0.4563000      -2.113500    
 H  -0.4795000       1.868000       2.835900    
 H   0.8897000       2.323300       1.829400    
 H   0.8872000      0.7558000       2.683800    
 H   -7.566400       2.686400      -1.785500    
 H   -6.000800       3.005000      -2.608400    
 H   -6.965300       4.348500      -1.960400    
 H   -5.493400      -4.634900       1.846000    
 H   -5.087700      -3.075600       2.642500    
 H   -4.008100      -4.476700       2.806400    
 H    3.774600      0.8063000       2.242300    
 H    6.504000     -0.5297000      -1.684400    
 H    6.176800       1.223700       2.260300    


%chk=000105388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105388

0 1
O -5.647167 1.508306 -0.973684
O -5.174311 -2.653670 0.913421
O -6.078295 3.783797 -1.220627
O -4.963053 -4.958089 1.175155
O 9.258395 -0.424649 -0.616049
O 8.991575 1.674280 0.246381
N -3.501388 -0.311841 0.070761
N 2.089841 0.499246 0.427902
N 2.884461 -0.343336 -0.212744
N 8.522896 0.546406 -0.179602
N 3.546964 3.349280 1.192326
C -4.440504 0.498189 0.875078
C -4.105359 -1.328190 -0.816930
C -2.123907 -0.128402 0.146878
C -4.829657 1.834000 0.230376
C -4.188288 -2.730519 -0.202372
C -1.551704 0.924289 0.937633
C -1.217943 -0.993594 -0.567416
C -0.166317 1.127095 1.037379
C 0.716327 0.250619 0.310443
C 0.156855 -0.801991 -0.483192
C 0.384790 2.248812 1.889869
C -6.219817 2.612961 -1.632707
C -5.470470 -3.877365 1.543457
C 4.257323 -0.020058 -0.137495
C -6.970835 2.174184 -2.868906
C -6.430366 -3.673762 2.693064
C 4.829861 1.224387 0.321847
C 5.132208 -1.040352 -0.613862
C 6.235533 1.393498 0.297799
C 7.059884 0.350606 -0.167245
C 6.522100 -0.875216 -0.627986
C 4.049058 2.338043 0.792735
H -5.348318 -0.104958 1.040093
H -4.006312 0.696244 1.871393
H -5.119399 -0.984135 -1.078518
H -3.538939 -1.386226 -1.763742
H -5.437459 2.446660 0.921564
H -3.953530 2.426078 -0.086686
H -4.544047 -3.468729 -0.944779
H -3.221406 -3.077316 0.202314
H -2.199454 1.614812 1.483934
H -1.597700 -1.818494 -1.175429
H 0.847092 -1.459311 -1.020844
H -0.427789 2.852899 2.328063
H 1.053109 2.910128 1.312700
H 1.008472 1.850397 2.710606
H -7.334259 1.139943 -2.771886
H -6.295306 2.223676 -3.742668
H -7.810760 2.861535 -3.052567
H -7.073508 -2.796165 2.527378
H -5.856185 -3.510762 3.623667
H -7.041766 -4.579128 2.827113
H 4.669067 -1.966179 -0.966804
H 6.692040 2.327614 0.636065
H 7.196367 -1.657648 -0.984255


