%chk=000058798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058798

0 1
 O   0.4328000      0.6663000     -0.3012000    
 O   -2.612000       1.189900       1.536300    
 O   1.7999999E-02   1.510200       1.802900    
 N    3.718100     -0.6087000     -0.9018000    
 C    2.249300      6.3999998E-03   1.153300    
 C    1.832700      0.8184000     -8.8500001E-02
 C    2.615000      0.3002000      -1.318500    
 C   -2.229200       1.841300     -0.7220000    
 C    2.148100      -1.494600      0.8263000    
 C    3.727300      0.3236000       1.420600    
 C    3.103400      -1.831800     -0.3315000    
 C    4.545800      1.6799999E-02  0.1558000    
 C   -3.624000       2.323900     -0.7484000    
 C   -2.511100       3.231700     -0.3137000    
 C   -1.845200      0.8433000      0.3787000    
 C    3.126000       1.455000      -2.185100    
 C  -0.3740000       1.054300      0.7356000    
 C   -2.130700     -0.6230000      8.2999997E-02
 C   -1.898100      -1.559100       1.069100    
 C   -2.612600     -0.9697000      -1.162200    
 C   -2.159100      -2.902300      0.7980000    
 C   -2.873700      -2.312800      -1.433300    
 C   -2.646900      -3.279200     -0.4532000    
 H    1.689700      0.1932000       2.068000    
 H    2.041400       1.884200      7.6700002E-02
 H    1.935800     -0.2686000      -1.969700    
 H   -1.695000       1.707900      -1.654600    
 H    1.121000      -1.761100      0.5555000    
 H    2.414400      -2.090800       1.707300    
 H    4.096200     -0.2787000       2.259700    
 H    3.846700       1.377400       1.698500    
 H    3.888500      -2.516600      1.3500000E-02
 H    2.563100      -2.378700      -1.114400    
 H    5.021900      0.9305000     -0.2173000    
 H    5.378800     -0.6509000      0.4102000    
 H   -4.338000       1.999300     -2.7999999E-03
 H   -4.073000       2.510700      -1.717500    
 H   -2.220600       4.026000     -0.9922000    
 H   -2.466600       3.521200      0.7283000    
 H    3.694300       1.076900      -3.042000    
 H    2.282900       2.035200      -2.576500    
 H    3.768400       2.144000      -1.627900    
 H   -2.253900      0.7240000       2.310200    
 H   -1.508100      -1.288300       2.045200    
 H   -2.801800     -0.2545000      -1.953900    
 H   -1.979400      -3.655100       1.560000    
 H   -3.252900      -2.607100      -2.407700    
 H   -2.849100      -4.325100     -0.6648000    


%chk=000058798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058798

0 1
O 0.447757 0.597939 -0.102838
O -2.667765 1.469779 1.597136
O -0.045036 1.475035 1.998773
N 3.756510 -0.156675 -1.308774
C 2.478838 -0.468100 0.937802
C 1.929758 0.745540 0.155426
C 2.625019 0.827599 -1.244489
C -2.202297 1.545514 -0.801016
C 2.367082 -1.758999 0.084431
C 3.978862 -0.166026 1.219188
C 3.191630 -1.543014 -1.237720
C 4.702550 0.033838 -0.164008
C -3.592332 2.132735 -1.047036
C -2.386733 3.065825 -0.833928
C -1.911118 0.824269 0.527486
C 3.062665 2.255302 -1.608722
C -0.409274 0.992053 0.893499
C -2.280728 -0.676593 0.444947
C -3.212870 -1.217190 1.361706
C -1.726345 -1.517693 -0.554233
C -3.582896 -2.579355 1.286701
C -2.098261 -2.877835 -0.628633
C -3.027765 -3.415762 0.292317
H 1.928313 -0.576811 1.888206
H 2.058898 1.667669 0.752947
H 1.884084 0.489043 -1.994634
H -1.696242 1.089931 -1.657244
H 1.305904 -1.976455 -0.132648
H 2.763574 -2.611722 0.666114
H 4.415155 -1.011607 1.782751
H 4.075572 0.733785 1.856365
H 4.037611 -2.250932 -1.302538
H 2.560739 -1.699535 -2.131306
H 5.147494 1.040612 -0.240276
H 5.524531 -0.692675 -0.290920
H -4.307236 2.068748 -0.222945
H -4.018996 2.040382 -2.049867
H -1.984494 3.614241 -1.690736
H -2.351158 3.598174 0.120642
H 3.530952 2.266185 -2.607418
H 2.185685 2.928078 -1.621231
H 3.788693 2.666419 -0.883489
H -2.010054 1.726597 2.304427
H -3.646637 -0.553638 2.114728
H -0.997564 -1.116379 -1.266593
H -4.307857 -2.984273 2.002130
H -1.663999 -3.517393 -1.405731
H -3.315621 -4.471530 0.233254


