%chk=000042043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042043

1 1
 O  -8.2999999E-03  0.1684000      -1.009000    
 O    2.474200      0.1107000      -1.992300    
 O   0.6928000      -1.858500     -0.1790000    
 N   -3.719600      0.2951000      -1.491900    
 C   -4.101300     -0.1220000     -0.1229000    
 C   -2.267000      0.7929000      -1.528400    
 C   -5.616300     -0.2222000      7.4999998E-03
 C   -3.844300     -0.8769000      -2.476800    
 C   -4.623800       1.432200      -1.990400    
 C   -1.350800     -0.2988000      -1.011800    
 C   -6.142900     -0.6499000       1.381900    
 C   -7.663900     -0.7971000       1.431600    
 C    2.330600     -8.2300000E-02 -0.5703000    
 C   -8.134500      -1.228700       2.812200    
 C   0.9394000     -0.7211000     -0.5622000    
 C    3.439000     -0.9983000     -4.5699999E-02
 C    2.362000       1.273500      0.1386000    
 C    3.473800      -1.348500       1.304200    
 C    3.127300       2.316200     -0.3839000    
 C    4.414200      -1.483200     -0.9173000    
 C    1.624800       1.467100       1.307000    
 C    4.483800      -2.183400       1.782300    
 C    3.155800       3.552200      0.2619000    
 C    5.424100      -2.318100     -0.4390000    
 C    1.653300       2.703300       1.952700    
 C    5.458800      -2.668200      0.9108000    
 C    2.418800       3.745700       1.430200    
 H   -3.722000      0.6249000      0.5851000    
 H   -3.649500      -1.093100      0.1070000    
 H   -2.202300       1.693400     -0.9057000    
 H   -2.016300       1.075100      -2.558000    
 H   -6.090900      0.7468000     -0.1807000    
 H   -6.013100     -0.9260000     -0.7332000    
 H   -3.381600      -1.769900      -2.049500    
 H   -4.905000      -1.074800      -2.655700    
 H   -3.364500     -0.5944000      -3.418600    
 H   -4.643700       2.220000      -1.231400    
 H   -4.188300       1.824000      -2.915700    
 H   -5.622300       1.049000      -2.218200    
 H   -1.593800     -0.5782000      1.7400000E-02
 H   -1.387300      -1.189000      -1.646200    
 H   -5.679600      -1.606000       1.655900    
 H   -5.820600      8.3300002E-02   2.131600    
 H   -8.138100      0.1557000       1.169700    
 H   -7.990100      -1.536900      0.6916000    
 H   -7.850000     -0.4930000       3.571300    
 H   -7.701600      -2.195000       3.090000    
 H   -9.224400      -1.327800       2.826900    
 H    1.902500      0.8489000      -2.266200    
 H    2.718400      -1.003900       2.002800    
 H    3.720000       2.186600      -1.285200    
 H    4.421800      -1.232100      -1.973600    
 H    1.019100      0.6737000       1.735700    
 H    4.508400      -2.459900       2.832400    
 H    3.754100       4.363100     -0.1430000    
 H    6.183700      -2.695900      -1.117200    
 H    1.079400       2.854300       2.862300    
 H    6.244400      -3.319200       1.283000    
 H    2.441500       4.707900       1.933500    


%chk=000042043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042043

1 1
O -0.366029 1.873474 -0.227162
O 2.084631 2.738395 -0.666330
O 0.244473 0.173246 1.231601
N -2.956490 -0.890059 -0.515276
C -4.360693 -0.228396 -0.453160
C -1.928430 0.161255 -0.994592
C -5.517374 -1.145463 -0.029399
C -2.552592 -1.455626 0.851291
C -2.941687 -2.024081 -1.539513
C -1.756571 1.387770 -0.066630
C -6.833353 -0.326789 0.064465
C -8.042643 -1.204150 0.465151
C 2.044095 1.459971 0.050926
C -9.350492 -0.391442 0.567680
C 0.590353 1.103124 0.465226
C 2.379034 0.360548 -0.988658
C 2.993767 1.504833 1.255737
C 2.623119 -0.969327 -0.560566
C 4.386142 1.356899 1.027457
C 2.408246 0.674142 -2.368352
C 2.536890 1.832345 2.557050
C 2.909577 -1.975151 -1.508809
C 5.303769 1.526111 2.084489
C 2.698031 -0.336748 -3.314001
C 3.457415 2.002264 3.615143
C 2.948149 -1.661930 -2.889176
C 4.842564 1.849436 3.382516
H -4.543260 0.186848 -1.461382
H -4.265462 0.612527 0.256347
H -2.244349 0.471461 -2.004734
H -0.965099 -0.368453 -1.080031
H -5.666162 -1.964062 -0.758435
H -5.318089 -1.606354 0.956661
H -2.834609 -0.748779 1.644016
H -3.073367 -2.410492 1.009041
H -1.461792 -1.596188 0.871551
H -3.217473 -1.623667 -2.527244
H -1.927397 -2.450548 -1.578223
H -3.657024 -2.800932 -1.237528
H -2.377083 2.242185 -0.371313
H -1.935036 1.138977 0.993847
H -6.713680 0.488940 0.806617
H -7.043913 0.158338 -0.910648
H -8.168563 -2.016910 -0.278165
H -7.834074 -1.695175 1.436997
H -9.603571 0.085050 -0.397491
H -9.268145 0.406817 1.328281
H -10.197634 -1.039128 0.853124
H 2.154917 3.473596 -0.005333
H 2.605666 -1.209069 0.508395
H 4.746574 1.115692 0.021792
H 2.234017 1.706716 -2.681052
H 1.465632 1.940228 2.761331
H 3.120823 -2.995806 -1.171581
H 6.376317 1.409804 1.897154
H 2.741052 -0.085242 -4.379309
H 3.094701 2.250472 4.618217
H 3.184666 -2.440184 -3.623031
H 5.555817 1.980387 4.203123


