%chk=000048495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048495

1 1
 O   -1.662900       3.067400      -1.422300    
 O   -1.658700      -3.062800      -1.423500    
 O  -0.2175000       2.990400      0.3844000    
 O  -0.2276000      -2.995600      0.3949000    
 N    4.458600     -7.9999998E-04  0.4099000    
 N   -3.468300      1.0000000E-03   1.115000    
 C   -1.185600     -6.9999998E-04 -0.5602000    
 C   0.2946000     -7.9999998E-04 -0.3058000    
 C    3.033400     -7.9999998E-04  0.1649000    
 C   -1.813200       1.279100      6.3000000E-03
 C   -1.813500      -1.277200      8.1000002E-03
 C    5.148100       1.250200     -0.2054000    
 C    5.145100      -1.262700     -0.1863000    
 C    4.871400      9.8000001E-03   1.915500    
 C    1.175800     -1.4000000E-03  -1.380100    
 C   0.7667000     -9.9999997E-05   1.001100    
 C   -2.914900       1.230000      0.7897000    
 C   -2.921100      -1.227500      0.7818000    
 C    2.550500     -1.5000000E-03  -1.143700    
 C    2.141500       0.000000       1.237200    
 C   -1.120700       2.541900     -0.2973000    
 C   -1.123300      -2.541800     -0.2932000    
 C   -3.634200       2.420800       1.363300    
 C   -3.646300      -2.419500       1.345100    
 C   -1.090000       4.307300      -1.850200    
 C   -1.087800      -4.304500      -1.849100    
 H   -1.380400     -1.2000001E-03  -1.642200    
 H    4.674100       2.140200      0.2200000    
 H    6.211700       1.219200      4.9800001E-02
 H    5.029600       1.222900      -1.291900    
 H    4.670900      -2.144800      0.2548000    
 H    5.022900      -1.253000      -1.272800    
 H    6.209500      -1.228800      6.5499999E-02
 H    4.485600     -0.8978000       2.390100    
 H    5.965200      1.1300000E-02   1.970900    
 H    4.483200      0.9227000       2.377600    
 H   0.8136000     -2.2000000E-03  -2.404300    
 H   8.9000002E-02  3.0000001E-04   1.850600    
 H    3.218400     -3.0000000E-03  -2.000400    
 H    2.451300      3.0000001E-04   2.276200    
 H   -4.297800      1.2000001E-03   1.698100    
 H   -3.635200       2.370400       2.457400    
 H   -4.673300       2.437500       1.017400    
 H   -3.177700       3.372700       1.077600    
 H   -3.653200      -2.375100       2.439500    
 H   -3.191400      -3.371500       1.057100    
 H   -4.683600      -2.431400      0.9936000    
 H   -1.229600       5.073900      -1.082000    
 H   -1.606100       4.624100      -2.760500    
 H  -2.7500000E-02   4.175300      -2.076500    
 H   -1.237000      -5.071900      -1.083500    
 H  -2.3000000E-02  -4.176900      -2.066600    
 H   -1.598000      -4.617300      -2.764000    


%chk=000048495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048495

1 1
O -2.003897 3.664761 -0.715304
O -2.012618 -3.663263 -0.719486
O -0.465271 2.459943 -1.983673
O -0.464666 -2.462203 -1.979911
N 4.646109 -0.001062 0.686187
N -3.091899 0.001024 1.195447
C -1.062392 -0.000398 -0.820531
C 0.421142 -0.000367 -0.404306
C 3.153304 -0.000391 0.335257
C -1.774348 1.276301 -0.345858
C -1.774718 -1.276370 -0.344519
C 5.312058 1.251647 0.098647
C 5.308943 -1.258541 0.105338
C 4.897542 0.002832 2.191726
C 1.437163 -0.001765 -1.391122
C 0.803580 0.001036 0.956305
C -2.719929 1.244850 0.663652
C -2.719365 -1.243631 0.665779
C 2.796902 -0.001840 -1.033189
C 2.164956 0.001006 1.339434
C -1.348963 2.479635 -1.079082
C -1.351218 -2.480246 -1.078086
C -3.456909 2.419587 1.270568
C -3.456184 -2.417053 1.275360
C -1.606198 4.867873 -1.488533
C -1.617011 -4.866514 -1.493596
H -1.061517 -0.000808 -1.925784
H 4.820055 2.138598 0.523829
H 6.383119 1.240644 0.355508
H 5.186389 1.253511 -0.992106
H 4.814760 -2.141974 0.535301
H 5.182990 -1.265853 -0.985373
H 6.380061 -1.248885 0.362036
H 4.456046 -0.898385 2.640295
H 5.985705 0.002554 2.356593
H 4.457135 0.907036 2.635336
H 1.152884 -0.002903 -2.446162
H 0.034440 0.002178 1.736206
H 3.548811 -0.003020 -1.829895
H 2.408734 0.002133 2.404509
H -3.788439 0.001425 1.942082
H -4.038149 2.107398 2.157413
H -4.149867 2.867239 0.538179
H -2.762311 3.221709 1.561685
H -4.015901 -2.107740 2.177003
H -2.764643 -3.229316 1.543620
H -4.169371 -2.849251 0.552775
H -0.531402 5.074128 -1.352711
H -2.221818 5.680039 -1.077353
H -1.812498 4.716476 -2.560869
H -0.543243 -5.076654 -1.355638
H -1.820348 -4.712620 -2.566140
H -2.236434 -5.677208 -1.085242


