%chk=000060378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060378

0 1
 O   -1.433700     -0.4630000      0.5325000    
 O   0.6059000       1.260500      -1.905100    
 O  -0.2174000      -2.386500      0.3712000    
 N   0.8906000     -0.3202000      0.3986000    
 N   -5.070500      -1.049500      0.6554000    
 C   0.7856000       1.113000      0.4827000    
 C   -3.816700     -0.2966000      0.6543000    
 C   -2.626400      -1.236400      0.5472000    
 C    2.196500     -0.9195000      0.2692000    
 C   0.6480000       1.842500     -0.6731000    
 C  -0.2471000      -1.158100      0.4388000    
 C   0.8294000       1.686600       1.731000    
 C   0.5475000       3.230400     -0.5754000    
 C    3.267400     -0.2715000      0.8304000    
 C    2.302300      -2.108000     -0.4079000    
 C   -6.211400     -0.1424000      0.7758000    
 C   -5.184100      -1.854900     -0.5599000    
 C   0.7291000       3.074500       1.828600    
 C   0.5882000       3.846300      0.6755000    
 C    4.530100     -0.8510000      0.7058000    
 C    3.565100      -2.687500     -0.5322000    
 C  -0.5714000       1.471900      -2.681000    
 C    4.678800      -2.058900      2.4599999E-02
 C  -0.7859000      0.2781000      -3.586800    
 H   -3.720700      0.2812000       1.582700    
 H   -3.782000      0.4362000     -0.1636000    
 H   -2.605100      -1.925200       1.400400    
 H   -2.641300      -1.811000     -0.3837000    
 H   0.9318000       1.091300       2.633400    
 H   0.4461000       3.846200      -1.464900    
 H    3.204400      0.6605000       1.377700    
 H    1.498300      -2.592100     -0.9477000    
 H   -7.148600     -0.7068000      0.8363000    
 H   -6.279900      0.5513000     -7.0000000E-02
 H   -6.141000      0.4445000       1.698500    
 H   -4.513700      -2.719700     -0.5414000    
 H   -5.002300      -1.271700      -1.470200    
 H   -6.190400      -2.284800     -0.6393000    
 H   0.7595000       3.554000       2.802600    
 H   0.5118000       4.927000      0.7515000    
 H    5.397700     -0.3628000       1.140200    
 H    3.685700      -3.616300      -1.082400    
 H  -0.4434000       2.377600      -3.283500    
 H   -1.450400       1.596400      -2.036100    
 H    5.662700      -2.507600     -7.6600000E-02
 H   -1.676600      0.4123000      -4.206800    
 H   8.0399998E-02  0.1280000      -4.239500    
 H  -0.9013000     -0.6367000      -2.995800    


%chk=000060378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060378

0 1
O -1.423580 -0.638849 0.663483
O 0.076545 0.915717 -1.688437
O -0.293876 -2.643380 0.255248
N 0.862659 -0.574556 0.486911
N -5.148555 -0.959016 0.590183
C 0.661885 0.857444 0.625648
C -3.805063 -0.339343 0.532349
C -2.699845 -1.398965 0.629584
C 2.210294 -1.065764 0.304911
C 0.264961 1.629133 -0.503940
C -0.267474 -1.400413 0.442346
C 0.881766 1.486698 1.864228
C 0.086574 3.027968 -0.366875
C 3.250532 -0.125298 0.067113
C 2.536367 -2.448652 0.378281
C -6.193723 0.000768 0.999898
C -5.517379 -1.675323 -0.648652
C 0.709611 2.883117 2.004084
C 0.310985 3.645723 0.884829
C 4.583471 -0.556884 -0.089311
C 3.876056 -2.862848 0.218391
C -0.351339 1.660535 -2.890762
C 4.910717 -1.929297 -0.014013
C -0.477564 0.637832 -4.016227
H -3.699245 0.346629 1.392197
H -3.648977 0.268864 -0.394725
H -2.801129 -1.988181 1.557764
H -2.679135 -2.091831 -0.229294
H 1.189402 0.869137 2.714604
H -0.221298 3.638101 -1.220862
H 3.021067 0.941682 0.004760
H 1.747946 -3.184339 0.536947
H -7.156059 -0.529303 1.117427
H -6.348375 0.833093 0.266309
H -5.929802 0.447679 1.974595
H -4.781457 -2.465634 -0.873771
H -5.585865 -1.000300 -1.540543
H -6.499113 -2.162581 -0.512550
H 0.880938 3.363979 2.972218
H 0.171974 4.728520 0.979722
H 5.366628 0.187509 -0.272885
H 4.106885 -3.932697 0.277991
H 0.405494 2.435019 -3.131827
H -1.319961 2.161244 -2.685856
H 5.946876 -2.262891 -0.135214
H -0.795863 1.137749 -4.949165
H 0.488970 0.137964 -4.196497
H -1.222327 -0.134160 -3.758616


