%chk=000060010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060010

0 1
 O   -3.187500      -1.239200     -1.0000000E-03
 O   -1.393400     -3.8400002E-02  0.7535000    
 O    3.281800     -0.6635000      0.8846000    
 N   -6.086100       1.761100     -0.3407000    
 N   -1.146400      -2.140700     -0.2463000    
 C   -4.056900     -0.1977000      0.4243000    
 C   -3.703700       1.102400     -0.2926000    
 C   -5.496900     -0.5959000      0.1165000    
 C   -4.726300       2.197700      7.7999998E-03
 C   -6.464600      0.5514000      0.4039000    
 C   -7.047400       2.835700     -9.3599997E-02
 C   -8.439300       2.445200     -0.5610000    
 C   -1.845400      -1.044600      0.2206000    
 C    6.493400       1.032900     -9.7599998E-02
 C    7.043700       2.454400      4.7600001E-02
 C    5.089400      0.8628000      0.4804000    
 C    8.439000       2.630600     -0.5531000    
 C    4.598500     -0.5722000      0.3425000    
 C   0.2500000      -2.358300     -0.2202000    
 C    8.969400       4.037100     -0.3194000    
 C    1.077800      -1.390800      0.3267000    
 C    2.456100      -1.604600      0.3511000    
 C   0.7643000      -3.534100     -0.7433000    
 C    2.988200      -2.783400     -0.1717000    
 C    2.142300      -3.748000     -0.7190000    
 H   -3.952300     -7.0400000E-02   1.510100    
 H   -2.726200       1.504700     -2.0800000E-02
 H   -3.656100      0.9234000      -1.375600    
 H   -5.580500     -0.9054000     -0.9340000    
 H   -5.770800      -1.478200      0.7076000    
 H   -4.460100       3.083800     -0.5815000    
 H   -4.665000       2.479600       1.067300    
 H   -6.495000      0.7479000       1.483700    
 H   -7.454400      0.1911000      0.1066000    
 H   -6.745100       3.725200     -0.6601000    
 H   -7.077500       3.121100      0.9655000    
 H   -8.424800       2.023800      -1.571900    
 H   -8.923800       1.733500      0.1140000    
 H   -9.078500       3.334900     -0.5877000    
 H    7.177200      0.3340000      0.4000000    
 H    6.482000      0.7613000      -1.160500    
 H    7.071700       2.716400       1.112700    
 H    6.352900       3.158600     -0.4327000    
 H    5.077700       1.151300       1.538700    
 H    4.388600       1.540000     -2.3499999E-02
 H   -1.702900      -2.884500     -0.6605000    
 H    8.407900       2.426900      -1.629600    
 H    9.129900       1.907200     -0.1050000    
 H    4.613400     -0.8321000     -0.7239000    
 H    5.259000      -1.251600      0.8936000    
 H    9.966300       4.143500     -0.7582000    
 H    8.314400       4.784400     -0.7785000    
 H    9.044200       4.255800      0.7506000    
 H   0.7340000     -0.4567000      0.7475000    
 H   0.1143000      -4.292500      -1.170700    
 H    4.051600      -3.001800     -0.1474000    
 H    2.555700      -4.668700      -1.120600    


%chk=000060010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060010

0 1
O -3.249933 -0.959785 -0.021697
O -1.392001 0.479739 0.215450
O 3.362725 -0.139726 -0.116054
N -6.769217 1.437003 -0.248320
N -1.188384 -1.825368 -0.313241
C -4.171524 0.185362 0.251199
C -4.441427 0.981363 -1.035760
C -5.467414 -0.415335 0.805012
C -5.518578 2.052856 -0.763175
C -6.512923 0.701663 1.015398
C -7.859923 2.439908 -0.129189
C -9.246802 1.813534 0.106113
C -1.873454 -0.656722 -0.020866
C 7.016516 0.953073 -0.027419
C 7.683429 2.320008 0.245585
C 5.474013 1.017506 0.056378
C 9.226311 2.275282 0.161658
C 4.820409 -0.338342 -0.217499
C 0.216526 -2.017807 -0.412744
C 9.882072 3.645740 0.436921
C 1.145269 -0.972481 -0.215240
C 2.529262 -1.247165 -0.331616
C 0.669719 -3.331469 -0.725489
C 2.998294 -2.548592 -0.642073
C 2.049377 -3.578832 -0.835739
H -3.681127 0.838898 0.999231
H -3.511739 1.462584 -1.388546
H -4.804932 0.289659 -1.817976
H -5.863483 -1.153067 0.083461
H -5.271275 -0.935631 1.760515
H -5.752056 2.587281 -1.702385
H -5.110096 2.811940 -0.043335
H -6.157227 1.398297 1.822629
H -7.455950 0.249377 1.366708
H -7.883679 3.005072 -1.080893
H -7.643484 3.185766 0.680762
H -9.454375 1.049594 -0.663744
H -9.330920 1.337255 1.099247
H -10.028935 2.592586 0.047481
H 7.400220 0.208355 0.701325
H 7.321182 0.592934 -1.032573
H 7.382277 2.681007 1.250969
H 7.299131 3.066703 -0.480158
H 5.163459 1.367650 1.059378
H 5.086033 1.753387 -0.673804
H -1.784020 -2.641046 -0.470310
H 9.526326 1.914853 -0.843610
H 9.609372 1.528226 0.886785
H 5.077236 -0.705903 -1.233570
H 5.146401 -1.095773 0.526442
H 10.984270 3.588265 0.373319
H 9.540068 4.402529 -0.294158
H 9.620169 4.014066 1.446815
H 0.812390 0.038644 0.024880
H -0.052187 -4.142428 -0.878734
H 4.065449 -2.766436 -0.732479
H 2.396956 -4.589654 -1.076067


