%chk=000074784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074784

0 1
 O   -3.170400      -1.837600      0.1167000    
 O   -6.712600       2.157200     -0.1070000    
 O    2.641100       2.102800     -0.3583000    
 O    2.894800      -2.402800      0.6603000    
 N   -1.224400     -0.2316000      0.7855000    
 N   0.8308000      -1.359600      0.7325000    
 N   0.6992000      0.9773000      0.2040000    
 N    2.816800     -0.1496000      0.1413000    
 C   -3.555100      0.4878000      0.3660000    
 C   -4.488500       1.524700      0.3062000    
 C   -5.365600      -1.179700     -0.2855000    
 C   -6.299100     -0.1428000     -0.3454000    
 C   -3.959600     -0.9023000      7.2600000E-02
 C   -2.225400      0.7641000      0.7058000    
 C   -5.894500       1.247400     -5.2200001E-02
 C   -4.092200       2.837800      0.5868000    
 C   -1.834600       2.074200      0.9842000    
 C   -5.761800      -2.492800     -0.5662000    
 C   -7.628700     -0.4191000     -0.6859000    
 C   -2.766100       3.108900      0.9249000    
 C   -7.087600      -2.763600     -0.9055000    
 C   -8.019000      -1.729000     -0.9650000    
 C   0.1637000     -0.2034000      0.5641000    
 C    2.027000      0.9284000      9.9999998E-03
 C    2.150200      -1.257200      0.5043000    
 C    4.003900       2.064000     -0.5601000    
 C    4.250300      -2.308900      0.4285000    
 C    4.496800       1.773800      -1.823000    
 C    4.856500       2.314700      0.5039000    
 C    5.098900      -1.987500       1.476600    
 C    4.739400      -2.536800     -0.8484000    
 C    5.876000       1.733500      -2.027000    
 C    6.235900       2.274500      0.2999000    
 C    6.470600      -1.891600       1.241900    
 C    6.111000      -2.440900      -1.083100    
 C    6.745600       1.983900     -0.9655000    
 C    6.976600      -2.118300     -3.7900001E-02
 H   -4.800000       3.661700      0.5505000    
 H  -0.8357000       2.338400       1.313200    
 H   -5.056800      -3.318800     -0.5273000    
 H   -8.374000      0.3699000     -0.7393000    
 H   -2.463400       4.126200       1.156000    
 H   -1.570400      -1.169800      0.9555000    
 H   -7.394300      -3.782600      -1.123300    
 H   -9.050700      -1.942600      -1.229200    
 H    3.823300       1.578200      -2.652300    
 H    4.463900       2.541300       1.490900    
 H    4.709000      -1.810200       2.474600    
 H    4.069000      -2.788200      -1.665100    
 H    6.272900       1.505900      -3.012000    
 H    6.913000       2.468000       1.126700    
 H    7.144300      -1.639000       2.055400    
 H    6.504900      -2.616000      -2.079900    
 H    7.819500       1.951000      -1.123900    
 H    8.044300      -2.042000     -0.2210000    


%chk=000074784-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074784

0 1
O -3.083004 -1.840299 0.262410
O -6.926257 2.075978 -0.305297
O 2.806995 2.304352 -0.500201
O 2.770007 -2.368240 0.340703
N -1.192352 -0.080109 -0.006693
N 0.813498 -1.214558 0.151231
N 0.830411 1.193357 -0.241554
N 2.917767 -0.030478 -0.082820
C -3.562212 0.511612 -0.084830
C -4.576830 1.515588 -0.227413
C -5.403224 -1.250339 0.166783
C -6.409804 -0.254118 0.022978
C -3.954925 -0.901190 0.121202
C -2.173936 0.913346 -0.147628
C -6.036138 1.175152 -0.177893
C -4.231396 2.868187 -0.422542
C -1.850804 2.288579 -0.346716
C -5.778002 -2.604102 0.356904
C -7.777146 -0.620366 0.070020
C -2.871899 3.243968 -0.479913
C -7.140057 -2.961576 0.401954
C -8.142457 -1.968022 0.258179
C 0.184116 -0.001541 -0.037895
C 2.183900 1.099864 -0.255560
C 2.164006 -1.154524 0.120748
C 4.229839 2.480158 -0.541731
C 4.180802 -2.612922 0.367429
C 4.665380 3.403955 -1.514266
C 5.124049 1.889221 0.375904
C 4.530357 -3.721031 1.169613
C 5.145090 -1.913980 -0.391079
C 6.036475 3.733486 -1.582874
C 6.493484 2.229855 0.291320
C 5.878274 -4.132401 1.227431
C 6.491239 -2.342119 -0.319832
C 6.955315 3.145956 -0.681761
C 6.865336 -3.443005 0.483377
H -5.038990 3.598552 -0.525734
H -0.796961 2.568998 -0.392103
H -4.985412 -3.350372 0.465260
H -8.527604 0.168150 -0.043562
H -2.600357 4.293948 -0.631118
H -1.587010 -1.040599 0.143967
H -7.425570 -4.008599 0.548418
H -9.200215 -2.249478 0.293740
H 3.932191 3.849720 -2.192703
H 4.772197 1.171145 1.118149
H 3.745181 -4.240810 1.726294
H 4.862877 -1.053903 -0.998469
H 6.382615 4.448466 -2.336782
H 7.198022 1.774405 0.995722
H 6.154218 -4.990171 1.849899
H 7.247411 -1.805142 -0.903123
H 8.018570 3.402623 -0.734548
H 7.911642 -3.763325 0.526504


