%chk=000016154.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016154

0 1
 O   0.5401000     -9.4499998E-02 -0.4268000    
 O   -2.793700     -0.2527000      -1.776600    
 O  -0.2565000     -0.4559000      -2.559000    
 N    4.236700     -0.1397000     -8.9299999E-02
 C   -2.037400      -1.370500      0.1695000    
 C   -3.457100      -1.480400      0.7168000    
 C   -1.870000      -2.694900     -0.5685000    
 C   -1.831300     -0.1582000     -0.7216000    
 C   -3.570100      -2.933800       1.166600    
 C   -2.540100      -3.713600      0.3476000    
 C    2.822000      3.2699998E-02  0.2690000    
 C    2.618400      -1.028100       1.352700    
 C    4.000500      -1.260100       1.953500    
 C    4.928700     -0.3319000       1.187600    
 C    1.871600     -0.1686000     -0.9046000    
 C  -0.4486000     -0.2566000      -1.365600    
 C   -2.031300       1.199800     -6.1999999E-02
 C    4.786500      0.9889000     -0.8304000    
 C   -2.568800       2.229300     -0.8066000    
 C   -1.669100       1.358300       1.259600    
 C    6.268200      0.7959000      -1.105200    
 C   -2.752100       3.473000     -0.2026000    
 C   -1.852600       2.602100       1.863600    
 C   -2.394100       3.659500       1.132500    
 H   -1.328200      -1.380600       1.008000    
 H   -4.213400      -1.287200     -5.2900001E-02
 H   -3.648900     -0.7945000       1.547500    
 H  -0.8203000      -2.951700     -0.7442000    
 H   -2.383800      -2.716500      -1.534700    
 H   -3.339100      -3.023000       2.234500    
 H   -4.584000      -3.318800       1.017400    
 H   -3.003500      -4.523500     -0.2249000    
 H   -1.800900      -4.167500       1.018100    
 H    2.644800       1.018100      0.7235000    
 H    2.236300      -1.971400      0.9433000    
 H    1.908600     -0.6860000       2.113800    
 H    4.293900      -2.307100       1.812300    
 H    4.016800      -1.049000       3.027500    
 H    5.914400     -0.7938000       1.073200    
 H    5.041300      0.6116000       1.737400    
 H    2.024500      0.6124000      -1.658100    
 H    2.038100      -1.146400      -1.374000    
 H    4.637000       1.936500     -0.2976000    
 H    4.277200       1.077100      -1.796600    
 H   -2.499800     -0.9156000      -2.422700    
 H   -2.840100       2.121700      -1.852000    
 H   -1.228200      0.5656000       1.852700    
 H    6.874300      0.8780000     -0.1974000    
 H    6.466800     -0.1743000      -1.573300    
 H    6.619200       1.571600      -1.794600    
 H   -3.169400       4.297900     -0.7728000    
 H   -1.569500       2.749100       2.901800    
 H   -2.534900       4.628600       1.602200    


%chk=000016154-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016154

0 1
O 0.587854 -0.154986 -0.372278
O -2.657649 -0.547904 -2.006864
O -0.066039 -0.372689 -2.591437
N 4.308207 -0.049750 0.084856
C -2.041410 -1.235189 0.267468
C -3.521923 -1.351257 0.711855
C -1.687295 -2.690071 -0.130253
C -1.815485 -0.186206 -0.866401
C -3.588862 -2.705196 1.479044
C -2.381931 -3.561568 0.953961
C 2.870585 -0.145855 0.494155
C 2.770307 -1.429143 1.367480
C 4.065797 -2.214679 1.034087
C 5.090183 -1.083644 0.813458
C 2.031442 -0.212251 -0.789399
C -0.350408 -0.242278 -1.372279
C -2.154513 1.247023 -0.386271
C 4.875368 1.314805 0.076353
C -3.209637 1.956592 -1.007346
C -1.457147 1.850172 0.692194
C 6.225836 1.389793 -0.659135
C -3.561284 3.251093 -0.562519
C -1.811074 3.143203 1.136424
C -2.864340 3.850631 0.510724
H -1.418163 -0.927985 1.130336
H -4.156612 -1.383898 -0.192341
H -3.851370 -0.495920 1.326996
H -0.597419 -2.872120 -0.183659
H -2.118978 -2.893619 -1.127822
H -3.496662 -2.540619 2.568640
H -4.556074 -3.211771 1.311003
H -2.709047 -4.533990 0.544347
H -1.679713 -3.780117 1.780236
H 2.547875 0.745880 1.076523
H 1.846401 -1.997591 1.163118
H 2.762250 -1.154569 2.438147
H 3.942693 -2.796433 0.102408
H 4.366043 -2.908797 1.837188
H 5.963831 -1.409513 0.221829
H 5.465007 -0.703320 1.797866
H 2.235675 0.639947 -1.461160
H 2.203522 -1.151133 -1.344103
H 4.998535 1.708614 1.119414
H 4.152197 1.981198 -0.431751
H -2.071838 -0.542445 -2.815839
H -3.748034 1.474458 -1.828075
H -0.631174 1.316859 1.174208
H 6.999478 0.787142 -0.150304
H 6.119946 1.013693 -1.691961
H 6.585659 2.434119 -0.697991
H -4.381264 3.788577 -1.052615
H -1.263417 3.599516 1.969201
H -3.136828 4.854491 0.855884


