%chk=000045246.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045246

0 1
 O  -0.4117000      -2.387000      0.3086000    
 O   -1.522000      -2.724300      -1.679500    
 N    2.936500      2.5599999E-02 -0.5760000    
 C    3.266700       1.219200      0.2308000    
 C    4.261700      0.9223000       1.367900    
 C    2.028800       1.940300      0.7746000    
 C    4.160100     -0.6007000      -1.101400    
 C    5.525400      0.2495000      0.8395000    
 C    5.184200     -0.9603000     -2.2700001E-02
 C    2.084500     -0.9501000      0.1027000    
 C    1.020600       2.205000     -0.3359000    
 C  -0.2268000       2.898600      0.2165000    
 C    1.642000      -2.036000     -0.8729000    
 C   -1.262700       3.134800     -0.8850000    
 C   0.7342000      -3.056200     -0.1993000    
 C   -2.542100       3.805800     -0.3803000    
 C   -3.564300       4.066000      -1.475700    
 C   -1.473600      -2.290800     -0.5389000    
 C   -2.600600      -1.572400      0.1078000    
 C   -3.892000      -1.886700     -0.2629000    
 C   -2.321700     -0.6133000       1.059900    
 C   -4.951000      -1.212100      0.3447000    
 C   -3.380700      6.1200000E-02   1.667500    
 C   -4.695400     -0.2383000       1.309900    
 H    3.757700       1.930200     -0.4499000    
 H    4.539100       1.854300       1.875200    
 H    3.796000      0.2800000       2.125700    
 H    1.563000       1.369200       1.586900    
 H    2.337100       2.897000       1.216100    
 H    3.977100      -1.456800      -1.754100    
 H    4.629700      0.1283000      -1.777500    
 H    6.167000     -5.3199999E-02   1.674400    
 H    6.097100      0.9711000      0.2427000    
 H    6.098700      -1.333600     -0.4982000    
 H    4.806100      -1.773100      0.6079000    
 H    1.182700     -0.4736000      0.4946000    
 H    2.587600      -1.405000      0.9637000    
 H   0.7046000       1.283300     -0.8342000    
 H    1.478600       2.839900      -1.104600    
 H   5.2299999E-02   3.857700      0.6691000    
 H  -0.6718000       2.284500       1.008300    
 H    1.118000      -1.575000      -1.719200    
 H    2.481600      -2.610800      -1.270500    
 H   -1.524200       2.175600      -1.349100    
 H  -0.8176000       3.756400      -1.671800    
 H   0.4630000      -3.863400     -0.8899000    
 H    1.247600      -3.523400      0.6483000    
 H   -3.001700       3.176900      0.3914000    
 H   -2.287100       4.759100      9.7700000E-02
 H   -3.151300       4.723900      -2.246700    
 H   -3.872000       3.129500      -1.951700    
 H   -4.455300       4.545600      -1.058700    
 H   -4.103900      -2.645300      -1.010600    
 H   -1.307600     -0.3514000       1.345900    
 H   -5.974600      -1.445300      6.6699997E-02
 H   -3.181500      0.8231000       2.415500    
 H   -5.519700      0.2880000       1.782200    


%chk=000045246-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045246

0 1
O -0.473050 -2.353833 0.329252
O -1.621418 -2.278975 -1.703132
N 3.117634 -0.104110 -0.536110
C 3.295705 1.161415 0.247202
C 4.306452 0.983853 1.419747
C 1.962875 1.790003 0.715010
C 4.426275 -0.564342 -1.071548
C 5.671633 0.473608 0.892428
C 5.495764 -0.801536 0.030918
C 2.308888 -1.173059 0.092300
C 0.931653 2.005151 -0.413820
C -0.391977 2.626999 0.084716
C 1.645341 -2.088230 -0.963345
C -1.436129 2.812625 -1.039251
C 0.647544 -3.078346 -0.348463
C -2.758167 3.446558 -0.549733
C -3.801769 3.605825 -1.676504
C -1.551991 -1.986157 -0.482869
C -2.588772 -1.224487 0.275136
C -3.738119 -0.782931 -0.430884
C -2.451296 -0.932556 1.657229
C -4.742279 -0.055475 0.240007
C -3.459958 -0.205960 2.324878
C -4.605279 0.233977 1.619055
H 3.754771 1.876219 -0.473508
H 4.438435 1.947726 1.950865
H 3.890538 0.264871 2.155761
H 1.510074 1.181016 1.525214
H 2.208002 2.767261 1.179637
H 4.271788 -1.483015 -1.666547
H 4.798167 0.213148 -1.770208
H 6.367245 0.282776 1.732266
H 6.133774 1.268540 0.269387
H 6.457915 -1.090785 -0.436063
H 5.186127 -1.647603 0.677188
H 1.504304 -0.702631 0.682164
H 2.889043 -1.809555 0.807096
H 0.727189 1.038310 -0.912688
H 1.377651 2.657462 -1.193300
H -0.185428 3.608913 0.561665
H -0.825584 1.980421 0.876898
H 1.136984 -1.461913 -1.717993
H 2.410478 -2.681241 -1.503866
H -1.654815 1.826245 -1.499250
H -1.003250 3.442889 -1.844641
H 0.218712 -3.741384 -1.119779
H 1.098684 -3.672312 0.464671
H -3.181527 2.817726 0.259606
H -2.542956 4.437314 -0.098576
H -3.409702 4.239649 -2.494532
H -4.062403 2.622239 -2.111615
H -4.734428 4.070740 -1.305845
H -3.820941 -1.020910 -1.496580
H -1.562503 -1.281308 2.190307
H -5.627881 0.286102 -0.306761
H -3.355234 0.018012 3.392062
H -5.386390 0.798862 2.140246


