%chk=000043266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043266

0 1
 O   -6.581900      -1.825900     -0.9712000    
 O  -0.5012000       1.360000      0.6763000    
 O   0.5606000       2.891700     -0.6748000    
 O    3.128800      -1.662900       2.124200    
 O    4.398000     -0.1893000      -2.252300    
 O    4.821100      -1.830400     -6.1799999E-02
 N   -4.252300     -0.4852000     -3.4400001E-02
 C   -3.059800      0.3348000     -0.2367000    
 C   -4.163200      -1.734400     -0.8034000    
 C   -5.464400      0.2539000     -0.4138000    
 C   -2.899800       1.331300      0.9143000    
 C   -1.649100       2.200800      0.7506000    
 C   -5.423500      -2.567200     -0.5868000    
 C   -6.693800     -0.6258000     -0.2053000    
 C   -1.483300       3.155400       1.925600    
 C   0.5329000       1.829900     -7.2200000E-02
 C    1.661300      0.8650000     -7.0200004E-02
 C    2.512100      0.7842000      -1.172600    
 C    1.872200      4.0899999E-02   1.035200    
 C    2.933800     -0.8639000       1.038300    
 C    3.573800     -0.1205000      -1.169600    
 C    3.784600     -0.9445000     -6.4000003E-02
 C    2.213900      -1.517300       3.208700    
 C    4.112900      0.6875000      -3.340300    
 C    6.066300      -1.367900      0.4562000    
 H   -3.078000      0.8510000      -1.205200    
 H   -2.172500     -0.3112000     -0.2435000    
 H   -3.295200      -2.321300     -0.4816000    
 H   -4.048700      -1.514000      -1.872800    
 H   -5.412300      0.5563000      -1.468000    
 H   -5.590200       1.157300      0.1908000    
 H   -3.771600       1.989500      0.9945000    
 H   -2.827900      0.7686000       1.854800    
 H   -1.767400       2.782800     -0.1728000    
 H   -5.385100      -3.469000      -1.206100    
 H   -5.523000      -2.886400      0.4578000    
 H   -6.836700     -0.8781000      0.8526000    
 H   -7.591400     -9.8499998E-02 -0.5439000    
 H   -2.356100       3.806500       2.034800    
 H  -0.5976000       3.785600       1.793600    
 H   -1.338600       2.603000       2.860700    
 H    2.299200       1.445400      -2.005800    
 H    1.198100      0.1488000       1.877400    
 H    2.516000      -2.231900       3.981700    
 H    1.192400      -1.782400       2.915000    
 H    2.275700     -0.5205000       3.658500    
 H    4.866700      0.4982000      -4.111800    
 H    4.214500       1.738700      -3.049500    
 H    3.138100      0.4700000      -3.789900    
 H    6.438700     -0.5233000     -0.1321000    
 H    5.962700      -1.077000       1.506300    
 H    6.789500      -2.185300      0.3901000    


%chk=000043266-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043266

0 1
O -6.768991 -2.103437 -0.026620
O -0.572464 1.477486 0.307160
O 0.539985 2.743885 -1.311070
O 2.721874 -2.142938 1.738800
O 5.118860 0.263368 -1.633374
O 4.898775 -1.833164 0.242454
N -4.333496 -0.511211 0.145502
C -3.271612 0.400969 -0.344396
C -4.391817 -1.763667 -0.655156
C -5.678224 0.121335 0.188461
C -2.972317 1.556575 0.631983
C -1.761238 2.395866 0.202222
C -5.434056 -2.725050 -0.062996
C -6.708442 -0.864013 0.764699
C -1.515721 3.624700 1.088399
C 0.532034 1.780181 -0.499727
C 1.662465 0.838717 -0.281433
C 2.833133 1.035299 -1.050260
C 1.583219 -0.218726 0.656040
C 2.689317 -1.078502 0.832212
C 3.933729 0.170263 -0.884022
C 3.885657 -0.893209 0.069431
C 1.506080 -2.392730 2.517601
C 5.179766 1.301593 -2.667636
C 6.273493 -1.351399 0.499980
H -3.523713 0.823599 -1.353237
H -2.348031 -0.195298 -0.464432
H -3.395183 -2.244637 -0.638611
H -4.655703 -1.556006 -1.723582
H -6.007565 0.443131 -0.833115
H -5.645189 1.017768 0.833992
H -3.837474 2.243585 0.706020
H -2.794791 1.138944 1.640829
H -1.838842 2.704129 -0.858556
H -5.544851 -3.626908 -0.687553
H -5.129552 -3.016274 0.965647
H -6.440942 -1.104538 1.816562
H -7.726122 -0.441101 0.727551
H -2.378242 4.313787 1.028147
H -0.618063 4.171632 0.755449
H -1.383109 3.324910 2.143209
H 2.842779 1.858195 -1.769709
H 0.667310 -0.337211 1.237268
H 1.744099 -3.267488 3.140078
H 0.646167 -2.623819 1.859349
H 1.254659 -1.529822 3.164915
H 6.166609 1.178648 -3.137452
H 5.096760 2.313854 -2.227713
H 4.383917 1.158277 -3.422859
H 6.662851 -0.786391 -0.361827
H 6.291938 -0.722607 1.410311
H 6.859572 -2.267550 0.666666


