%chk=000155431.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155431

0 1
 O   0.4755000      -2.804100      0.1889000    
 O   0.1697000       3.200900       1.259000    
 O   -2.054200      -3.698100      0.2741000    
 O    4.632000     -0.8759000     -0.5907000    
 N   -2.272000       2.745700     -1.7100001E-02
 C   -1.122200       1.870100     -0.3494000    
 C   -1.371700      0.3820000     -0.1331000    
 C   -2.683600     -0.1131000     -3.4000002E-02
 C   -3.511400       2.192700     -0.5968000    
 C   -3.847800      0.8346000      1.1700000E-02
 C  -0.2599000     -0.4962000     -8.6000003E-02
 C   0.1070000       2.269200      0.4676000    
 C    1.109600      7.0799999E-02 -9.6500002E-02
 C    1.303300       1.429500      0.2263000    
 C   -2.897700      -1.487200      0.1037000    
 C  -0.5135000      -1.872700      4.2900000E-02
 C   -2.090600       4.102500     -0.5603000    
 C   -1.817800      -2.362700      0.1299000    
 C    2.259400     -0.6866000     -0.3739000    
 C    2.575800       2.003200      0.3104000    
 C    3.536600     -0.1175000     -0.3062000    
 C    3.694300       1.221500      4.2199999E-02
 C   0.8777000      -3.113300       1.519800    
 C   -2.201600      -4.461500     -0.9208000    
 C    5.903000     -0.2338000     -0.5118000    
 H  -0.8732000       2.001100      -1.413300    
 H   -3.419700       2.099600      -1.688200    
 H   -4.355100       2.866300     -0.4000000    
 H   -4.700100      0.4071000     -0.5299000    
 H   -4.148200      0.9619000       1.059500    
 H   -3.909800      -1.873500      0.1990000    
 H   -1.997400       4.100100      -1.652800    
 H   -1.209100       4.600400     -0.1478000    
 H   -2.945100       4.734700     -0.2922000    
 H    2.210700      -1.717300     -0.7069000    
 H    2.705000       3.051600      0.5640000    
 H    4.654600       1.720100      0.1144000    
 H    1.089800      -2.205400       2.093900    
 H    1.790100      -3.714100       1.470200    
 H   0.1046000      -3.699300       2.026000    
 H   -3.059700      -4.105300      -1.499600    
 H   -2.376300      -5.504200     -0.6420000    
 H   -1.291800      -4.409100      -1.527000    
 H    5.992000      0.5759000      -1.244100    
 H    6.659400     -0.9820000     -0.7708000    
 H    6.122500      0.1014000      0.5076000    


%chk=000155431-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155431

0 1
O 0.508940 -2.768404 0.139789
O 0.149250 3.440572 1.191843
O -2.168256 -3.698425 0.316437
O 4.568476 -0.904903 -0.709558
N -2.342477 2.814518 -0.098451
C -1.163272 1.956807 -0.309298
C -1.421402 0.456982 -0.097061
C -2.743582 -0.030113 0.044771
C -3.573151 2.228834 -0.676914
C -3.920968 0.928271 0.056394
C -0.299918 -0.438768 -0.076247
C 0.084451 2.388830 0.495367
C 1.078225 0.130953 -0.111783
C 1.256383 1.506790 0.263849
C -2.965819 -1.420737 0.161057
C -0.554551 -1.835052 0.076609
C -2.130746 4.205048 -0.563316
C -1.889301 -2.320587 0.159157
C 2.230166 -0.623569 -0.431709
C 2.554353 2.053390 0.379444
C 3.521566 -0.046921 -0.351091
C 3.699341 1.295107 0.075331
C 0.698144 -3.378176 1.479426
C -1.759692 -4.556073 -0.820572
C 5.936275 -0.381297 -0.638172
H -0.805497 2.051801 -1.379948
H -3.468616 2.031116 -1.775967
H -4.388056 2.964644 -0.551642
H -4.805517 0.450491 -0.405588
H -4.187305 1.177168 1.101983
H -3.981247 -1.821688 0.247322
H -1.917640 4.263651 -1.661626
H -1.296666 4.658649 -0.009363
H -3.042946 4.792131 -0.358387
H 2.144568 -1.670295 -0.722903
H 2.642436 3.097863 0.696554
H 4.692425 1.746124 0.152924
H 0.973125 -2.598261 2.213382
H 1.526369 -4.093569 1.362134
H -0.222685 -3.898422 1.797744
H -2.321472 -4.271843 -1.730848
H -2.025827 -5.581445 -0.521749
H -0.674200 -4.473627 -1.005180
H 6.072291 0.480929 -1.319106
H 6.577758 -1.214118 -0.960567
H 6.199363 -0.084375 0.395428


