%chk=000086649.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086649

0 1
 O    4.647100      -1.097400      0.2828000    
 O   -8.832900      0.8894000      0.4819000    
 O   -8.796700      -1.215300     -0.4496000    
 N    4.669800       1.092600     -0.3007000    
 C    5.959000      0.6520000     -0.1229000    
 C    5.949100     -0.6883000      0.2345000    
 C    2.519000     -0.1339000     -7.1699999E-02
 C    3.946900      2.3399999E-02 -4.8799999E-02
 C    8.358700      0.5784000      8.2999999E-03
 C    7.190200       1.312400     -0.2421000    
 C  -0.2593000     -0.4406000     -0.1204000    
 C    7.083900      -1.448000      0.4902000    
 C    1.942600      -1.370400      0.2328000    
 C    1.697700      0.9482000     -0.4006000    
 C    8.303800     -0.7742000      0.3670000    
 C   0.5564000      -1.523400      0.2083000    
 C   0.3114000      0.7953000     -0.4250000    
 C   -1.704600     -0.6011000     -0.1468000    
 C    9.685800       1.253200     -0.1104000    
 C   -3.967000      0.2715000     -5.7599999E-02
 C   -2.542000      0.4334000     -6.4999998E-02
 C   -4.558000     -0.9064000     -0.5446000    
 C   -4.802300       1.287900      0.4361000    
 C   -6.759200     -4.5000002E-02 -4.4799998E-02
 C   -5.944000      -1.063500     -0.5384000    
 C   -6.188300       1.130800      0.4424000    
 C   -8.204200     -0.2089000     -3.8199998E-02
 C   -10.26270      0.8480000      0.5433000    
 H    7.230300       2.361300     -0.5186000    
 H    7.030600      -2.493400      0.7674000    
 H    2.543300      -2.238100      0.4938000    
 H    2.120600       1.919000     -0.6484000    
 H    9.223100      -1.324000      0.5585000    
 H   0.1297000      -2.494000      0.4497000    
 H  -0.2718000       1.663000     -0.7174000    
 H   -2.044500      -1.630500     -0.1935000    
 H    10.00120       1.634600      0.8659000    
 H    10.44780      0.5593000     -0.4813000    
 H    9.644600       2.089900     -0.8160000    
 H   -2.197300       1.456000      4.6900000E-02
 H   -3.977600      -1.720900     -0.9688000    
 H   -4.378500       2.212700      0.8221000    
 H   -6.369300      -1.984600     -0.9286000    
 H   -6.783200       1.950000      0.8363000    
 H   -10.68030      0.7477000     -0.4628000    
 H   -10.61220       1.788100      0.9781000    
 H   -10.58870      2.1400001E-02   1.181400    


%chk=000086649-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086649

0 1
O 4.844025 -1.274826 -0.000385
O -9.109935 1.040678 0.088728
O -9.039685 -1.289865 0.094296
N 4.787336 1.049392 -0.012459
C 6.136978 0.618748 -0.017186
C 6.175446 -0.804210 -0.009633
C 2.609352 -0.209007 0.006035
C 4.056989 -0.064106 -0.002704
C 8.564067 0.649734 -0.029289
C 7.339285 1.358076 -0.027107
C -0.245026 -0.429212 0.024011
C 7.365169 -1.540467 -0.011658
C 1.988973 -1.487662 0.016384
C 1.792006 0.958977 0.004146
C 8.558195 -0.781925 -0.021600
C 0.588086 -1.587801 0.024994
C 0.395819 0.848887 0.012875
C -1.701115 -0.607108 0.034249
C 9.890733 1.391140 -0.039775
C -4.106320 0.205916 0.053708
C -2.649521 0.385854 0.042775
C -4.744740 -1.072587 0.062812
C -4.938909 1.365422 0.056029
C -6.957496 -0.014257 0.075248
C -6.142947 -1.179894 0.073291
C -6.340630 1.263605 0.066520
C -8.434549 -0.187829 0.086880
C -10.587788 0.949020 0.100253
H 7.315901 2.451924 -0.032806
H 7.375423 -2.633343 -0.005891
H 2.611271 -2.387396 0.017652
H 2.280990 1.938266 -0.004452
H 9.519154 -1.310024 -0.023564
H 0.119414 -2.579381 0.033122
H -0.205765 1.763712 0.010453
H -2.035508 -1.654273 0.035382
H 10.499367 1.138805 0.848867
H 10.491324 1.128409 -0.930875
H 9.743588 2.484355 -0.045513
H -2.315958 1.433144 0.041755
H -4.142573 -1.987006 0.062337
H -4.469165 2.356531 0.049351
H -6.635271 -2.157993 0.080450
H -6.967924 2.159014 0.068170
H -10.945031 0.411589 -0.794369
H -10.933823 1.992195 0.101267
H -10.931215 0.414379 1.001924


