%chk=000049870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049870

0 1
 O   0.8489000      -2.398000      8.7099999E-02
 O   0.8294000       2.388800      7.9700001E-02
 O    1.670100      -1.326000       1.948200    
 O    1.660100       1.329400       1.943800    
 N    3.991600      4.8900001E-02  -2.208200    
 C   0.8376000     -4.6999999E-03  4.3699998E-02
 C    1.736400     -5.2000000E-03  -1.237400    
 C  -0.6799000     -9.3999999E-03 -0.2402000    
 C    3.245900      4.4199999E-02 -0.9528000    
 C    1.175500      -1.293900      0.8285000    
 C    1.166300       1.289900      0.8239000    
 C   -1.536100      1.7899999E-02  0.8281000    
 C   -1.091600     -3.9900001E-02  -1.545900    
 C   -2.907200      1.4600000E-02  0.5716000    
 C   -3.370600     -1.6200000E-02 -0.7436000    
 C   -2.462800     -4.3499999E-02  -1.802400    
 C   -3.860400      4.1700002E-02   1.721000    
 C   -4.833800     -2.2000000E-02  -1.043200    
 C    1.121700      -3.660800      0.7022000    
 C    1.089600       3.655700      0.6919000    
 C   0.7060000      -4.769100     -0.2414000    
 C   0.6633000       4.757500     -0.2547000    
 H    1.537800     -0.9014000      -1.841600    
 H    1.491800      0.8610000      -1.868200    
 H    3.561400     -0.8216000     -0.3626000    
 H    3.512000      0.9438000     -0.3895000    
 H   -1.169900      3.9999999E-02   1.850100    
 H  -0.4326000     -6.4700000E-02  -2.403500    
 H   -2.807500     -6.8599999E-02  -2.832900    
 H   -4.490500     -0.8537000       1.720700    
 H   -4.494100      0.9334000       1.675800    
 H   -3.336100      6.7199998E-02   2.682700    
 H    3.704800      0.8470000      -2.773800    
 H    3.752100     -0.7798000      -2.751600    
 H   -5.311400      0.8818000     -0.6510000    
 H   -5.312900     -0.9053000     -0.6087000    
 H   -5.027100     -4.7200002E-02  -2.121300    
 H   0.5574000      -3.740400       1.637900    
 H    2.193700      -3.738900      0.9152000    
 H    2.160600       3.744700      0.9051000    
 H   0.5241000       3.732000       1.627200    
 H   0.9009000      -5.751100      0.1983000    
 H  -0.3603000      -4.692700     -0.4788000    
 H    1.248700      -4.691500      -1.189300    
 H   0.8485000       5.742500      0.1826000    
 H    1.207200       4.682900      -1.202200    
 H  -0.4020000       4.670200     -0.4923000    


%chk=000049870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049870

0 1
O 0.744267 -2.272903 0.231170
O 1.310039 2.487354 0.015075
O 2.067068 -1.025382 1.678567
O 0.565039 1.505790 1.982462
N 3.860469 0.291869 -2.462112
C 0.710579 0.122306 -0.082970
C 1.559737 0.160665 -1.396117
C -0.813214 -0.005146 -0.357363
C 3.102804 0.175753 -1.200829
C 1.237762 -1.076561 0.745412
C 0.869015 1.404874 0.775241
C -1.695035 -0.225605 0.731619
C -1.364308 0.121178 -1.651450
C -3.091790 -0.333836 0.556640
C -3.642373 -0.212484 -0.757458
C -2.761037 0.016070 -1.839216
C -3.993202 -0.573475 1.754952
C -5.138188 -0.322369 -0.990060
C 1.252116 -3.521212 0.881827
C 1.383476 3.796578 0.738657
C 0.564448 -4.688996 0.182957
C 1.902687 4.823835 -0.261397
H 1.284985 -0.724149 -2.002257
H 1.280210 1.067027 -1.962432
H 3.438022 -0.743614 -0.686511
H 3.386500 1.021139 -0.549660
H -1.280910 -0.295370 1.744867
H -0.723570 0.295117 -2.520323
H -3.174022 0.113485 -2.850738
H -4.568026 -1.514383 1.650996
H -4.735785 0.239057 1.875469
H -3.408644 -0.635234 2.688053
H 3.724225 1.183745 -2.949108
H 3.746185 -0.506311 -3.095400
H -5.696575 0.447307 -0.422696
H -5.530804 -1.304064 -0.660823
H -5.386710 -0.200899 -2.058180
H 1.014668 -3.469805 1.959662
H 2.352126 -3.546058 0.774426
H 2.051861 3.671632 1.609201
H 0.372180 4.038354 1.112618
H 0.901821 -5.642576 0.628775
H -0.531271 -4.620628 0.291360
H 0.806264 -4.703504 -0.893564
H 1.972027 5.814446 0.224017
H 2.906451 4.546947 -0.627068
H 1.225036 4.909535 -1.128091


