%chk=000156795.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156795

0 1
 O    5.991300     -9.8000001E-03  2.0199999E-02
 O    5.808700      0.2043000       3.094600    
 O    8.161100      -2.532500       1.491700    
 O   0.4190000     -0.4738000      -3.769600    
 N    3.755400     -0.2905000     -0.7212000    
 N    1.753600       1.002200     -0.2308000    
 N    3.078700      -1.143000      -2.686900    
 N   3.6800001E-02  0.8452000      -1.902500    
 N  -0.2325000       2.153000      3.9700001E-02
 N   -1.565900       4.593000      0.6520000    
 N   -4.508400     -0.1070000     -0.1358000    
 N   -4.655800     -0.7097000      0.9533000    
 C    4.612200     -2.2800000E-02  0.4281000    
 C    5.845100     -0.9197000       2.218000    
 C    4.496100      -1.046900       1.547900    
 C    6.786100     -0.6291000       1.053600    
 C    7.411200      -1.891100      0.4752000    
 C    2.509200      0.1816000     -0.9651000    
 C    4.058500      -1.093300      -1.800100    
 C    2.106300     -0.3405000      -2.159500    
 C   0.8007000     -1.7000001E-02  -2.699000    
 C   0.4998000       1.308700     -0.7559000    
 C   -1.621000       2.202200      0.1500000    
 C   -2.293100       3.398600      0.4506000    
 C   -2.377800       1.035100     -4.2800002E-02
 C   -3.683800       3.426700      0.5553000    
 C   -3.768500       1.063100      6.1700001E-02
 C   -4.421400       2.259000      0.3608000    
 C   -2.193600       5.839400      0.9590000    
 C   -5.399600      -1.885500      0.7553000    
 C   -4.743200      -3.075500      0.4573000    
 C   -6.786500      -1.850500      0.8587000    
 C   -5.481500      -4.242700      0.2607000    
 C   -7.524800      -3.017600      0.6622000    
 C   -6.872200      -4.213700      0.3632000    
 H    4.372900      0.9869000      0.7816000    
 H    6.110600      -1.793200       2.818300    
 H    4.372800      -2.057700       1.141500    
 H    3.648600     -0.8304000       2.205500    
 H    7.573700      7.3399998E-02   1.349600    
 H    8.072500      -1.641500     -0.3614000    
 H    6.649100      -2.581500      9.8200001E-02
 H    5.707300       1.013700       2.566600    
 H    5.000600      -1.617900      -1.883400    
 H    2.046400       1.388000      0.6608000    
 H    8.552900      -3.330400       1.097700    
 H   0.2717000       2.763700      0.6744000    
 H   -1.891700      8.4899999E-02 -0.2538000    
 H   -4.235000       4.333300      0.7858000    
 H  -0.5612000       4.567100      0.5270000    
 H   -5.504800       2.290500      0.4430000    
 H   -2.743500       5.794000       1.904900    
 H   -1.428600       6.615000       1.069700    
 H   -2.865500       6.163100      0.1572000    
 H   -3.660000      -3.107000      0.3764000    
 H   -7.302900     -0.9232000       1.091900    
 H   -4.973400      -5.174000      2.8000001E-02
 H   -8.607700      -2.995200      0.7422000    
 H   -7.447100      -5.122300      0.2103000    


%chk=000156795-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156795

0 1
O 4.552795 0.789049 1.512775
O 7.384775 1.223337 2.493333
O 6.767390 0.511931 -1.482220
O -0.162854 -3.379765 -0.169466
N 3.746316 -1.481872 1.596479
N 1.867124 0.059951 1.026551
N 2.730803 -3.459463 1.028662
N -0.111693 -1.055946 0.191722
N -0.039855 1.311724 0.478414
N -0.473912 3.951349 0.011200
N -4.896916 0.412147 -0.418811
N -4.633012 -0.870622 -0.377254
C 4.673240 -0.515947 2.221173
C 6.872266 0.296702 1.480226
C 6.163636 -0.934735 2.117827
C 5.758728 0.941396 0.634322
C 5.526983 0.278224 -0.733621
C 2.466023 -1.181184 1.140594
C 3.844248 -2.902101 1.514565
C 1.846646 -2.388369 0.780983
C 0.477545 -2.373421 0.230383
C 0.528248 0.042100 0.544564
C -1.373337 1.669999 0.113272
C -1.593040 3.084445 -0.069279
C -2.432293 0.759708 -0.018436
C -2.914877 3.551457 -0.275009
C -3.746544 1.247742 -0.273132
C -3.984246 2.641188 -0.370461
C -0.650500 5.410311 -0.005270
C -5.771458 -1.728356 -0.512049
C -7.121785 -1.291162 -0.636409
C -5.470573 -3.116744 -0.511863
C -8.150184 -2.244235 -0.757974
C -6.508233 -4.064313 -0.636503
C -7.849789 -3.631465 -0.759095
H 4.340961 -0.313291 3.255143
H 7.748067 0.025993 0.874431
H 6.279238 -1.816626 1.466674
H 6.608503 -1.159721 3.098973
H 5.923348 2.023531 0.510730
H 4.653451 0.754189 -1.224476
H 5.319253 -0.805925 -0.622218
H 6.619612 1.610757 2.993205
H 4.729702 -3.442643 1.838046
H 2.441293 0.902073 1.140950
H 6.657690 0.215409 -2.419327
H 0.465902 2.074678 0.943288
H -2.253083 -0.313103 0.076254
H -3.103290 4.622334 -0.392709
H 0.355262 3.619161 -0.492722
H -5.008623 2.984739 -0.545272
H -1.305528 5.717334 0.828331
H 0.330351 5.894334 0.137961
H -1.093116 5.791035 -0.951047
H -7.329360 -0.216546 -0.633954
H -4.421589 -3.416805 -0.415964
H -9.191436 -1.914525 -0.852386
H -6.272829 -5.134118 -0.637820
H -8.657545 -4.366129 -0.854383


