%chk=000060694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060694

0 1
 O   0.5193000       2.169900      -1.149200    
 O   -5.926300      0.6431000     -5.1600002E-02
 O    7.733900      -1.672900     -3.4299999E-02
 N   -3.957500      0.6727000       1.174600    
 N    5.265000     -0.3309000      0.3544000    
 C   -1.865200       2.709200      0.4560000    
 C   -3.360800       2.998700      0.6175000    
 C   -1.204100       3.721100     -0.4854000    
 C   -4.038200       2.044300       1.596000    
 C   0.2921000       3.475100     -0.6376000    
 C    1.687300       1.554500     -0.7792000    
 C   -4.923300      7.5400002E-02  0.3728000    
 C    4.063700      0.3023000     -2.6100000E-02
 C    2.822200       2.318400     -0.5067000    
 C    1.740500      0.1645000     -0.6749000    
 C    4.010500       1.692300     -0.1303000    
 C    2.928600     -0.4615000     -0.2985000    
 C   -4.707800      -1.357800      4.6399999E-02
 C    5.389000      -1.750200      0.4805000    
 C    6.792400      -2.110700      0.9372000    
 C   -5.798400      -2.180700     -0.2353000    
 C   -3.414800      -1.880700      2.1199999E-02
 C   -5.596200      -3.526300     -0.5420000    
 C   -3.212600      -3.226300     -0.2858000    
 C   -4.303400      -4.049000     -0.5672000    
 C    9.064300      -1.994500      0.3474000    
 H   -1.376100       2.748900       1.436800    
 H   -1.724800       1.695100      6.4300001E-02
 H   -3.497700       4.025700      0.9770000    
 H   -3.850700       2.932100     -0.3617000    
 H   -1.367600       4.740400     -0.1170000    
 H   -1.681000       3.645000      -1.470400    
 H   -5.091400       2.323300       1.710900    
 H   -3.566300       2.111400       2.582200    
 H   0.7118000       4.210500      -1.333600    
 H   0.7505000       3.614400      0.3503000    
 H   -3.182400      0.1301000       1.540000    
 H    2.831200       3.400000     -0.6035000    
 H   0.8587000     -0.4346000     -0.8854000    
 H    4.890000       2.298000      7.3299997E-02
 H    2.926100      -1.545200     -0.2309000    
 H    5.201300      -2.227500     -0.4888000    
 H    4.674400      -2.141400       1.213600    
 H    6.068100      0.2626000      0.5314000    
 H    7.012600      -1.634500       1.900500    
 H    6.869300      -3.197700       1.056800    
 H   -6.813700      -1.793400     -0.2165000    
 H   -2.536300      -1.268500      0.2023000    
 H   -6.445300      -4.167300     -0.7605000    
 H   -2.205600      -3.632300     -0.3130000    
 H   -4.145700      -5.096300     -0.8077000    
 H    9.742000      -1.637200     -0.4326000    
 H    9.184400      -3.077900      0.4447000    
 H    9.323700      -1.499900       1.288400    


%chk=000060694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060694

0 1
O 0.617762 1.869750 -0.500583
O -6.637589 0.699441 0.029975
O 8.376007 -1.229787 0.008311
N -4.467452 0.888805 0.855987
N 5.714213 -0.496640 0.294951
C -2.049379 2.802603 0.428203
C -3.531495 3.107326 0.117467
C -1.075512 3.594672 -0.471298
C -4.526286 2.349567 1.027748
C 0.397411 3.289226 -0.184381
C 1.916417 1.351597 -0.289688
C -5.525647 0.158934 0.333720
C 4.463453 0.099242 0.072501
C 3.011600 2.095446 0.216367
C 2.100452 -0.009720 -0.622662
C 4.263537 1.471798 0.394916
C 3.352987 -0.629591 -0.451041
C -5.293697 -1.323879 0.163099
C 6.050551 -1.846312 -0.151911
C 7.407065 -2.252034 0.428804
C -6.438087 -2.158143 0.088043
C -4.003860 -1.905554 0.043236
C -6.297904 -3.551734 -0.075798
C -3.863877 -3.300909 -0.126202
C -5.009453 -4.128352 -0.178849
C 9.711931 -1.466060 0.551682
H -1.839486 3.038171 1.493564
H -1.840546 1.723955 0.290585
H -3.717627 4.194459 0.239266
H -3.753812 2.859920 -0.938970
H -1.235825 4.683520 -0.331791
H -1.285280 3.370868 -1.535277
H -5.564835 2.642053 0.795431
H -4.328741 2.601544 2.089613
H 1.063464 3.917950 -0.812288
H 0.637998 3.476974 0.884722
H -3.629163 0.396607 1.165436
H 2.906578 3.153067 0.476635
H 1.251571 -0.570163 -1.027948
H 5.100866 2.055977 0.796837
H 3.464634 -1.680464 -0.735746
H 6.085394 -1.927661 -1.262657
H 5.292228 -2.569659 0.208583
H 6.524833 0.119348 0.392322
H 7.357361 -2.287502 1.539387
H 7.707642 -3.251393 0.046274
H -7.423499 -1.685258 0.152588
H -3.102696 -1.279718 0.038423
H -7.188512 -4.187784 -0.126326
H -2.865085 -3.739642 -0.227818
H -4.899069 -5.210699 -0.309564
H 10.346861 -0.645909 0.181912
H 10.124575 -2.436071 0.202458
H 9.706721 -1.458382 1.662559


