%chk=000039822.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039822

0 1
 O   -2.650600       1.327900      0.3503000    
 O  -0.6487000      1.0300000E-02  0.1648000    
 O    2.779400      -3.767500      0.4856000    
 O    3.008700       1.446900     -0.9553000    
 O   0.4010000       1.717400      -1.948000    
 O   -1.351800       3.209400      -1.789100    
 N    3.539200      -1.030100      0.3081000    
 C   -1.959800      0.2905000     -0.3992000    
 C    3.641800      -1.932800     -0.8469000    
 C    3.691600      -1.790500       1.556400    
 C    4.536200      3.5100002E-02  0.2244000    
 C    2.600000      -3.041800     -0.7312000    
 C    2.649500      -2.903800       1.615500    
 C   -1.749400      0.8112000      -1.825900    
 C   -2.801300     -0.9832000     -0.4366000    
 C    4.311700      0.8841000      -1.016700    
 C   -1.761600       1.599400       1.344100    
 C  -0.6172000      0.8461000       1.237900    
 C  -0.9157000       2.068100      -1.849000    
 C   -2.177400      -2.223700     -0.5469000    
 C   -4.189600     -0.8995000     -0.3607000    
 C    2.736300       2.255900      -2.093200    
 C   -1.937100       2.515100       2.360500    
 C   0.4174000      0.9651000       2.142400    
 C    1.328000       2.807400      -1.982500    
 C   -2.946200      -3.387100     -0.5815000    
 C   -4.958400      -2.063000     -0.3952000    
 C  -0.9051000       2.655300       3.291300    
 C   0.2657000       1.884500       3.182700    
 C   -4.336600      -3.306700     -0.5057000    
 H    4.644800      -2.375400     -0.9007000    
 H    3.438300      -1.421300      -1.791500    
 H    3.557600      -1.132600       2.422700    
 H    4.696500      -2.228700       1.614200    
 H    4.433300      0.6827000       1.104400    
 H    5.557800     -0.3646000      0.2223000    
 H    2.713600      -3.748900      -1.559200    
 H    1.578800      -2.643600     -0.7728000    
 H    1.629600      -2.501500       1.652900    
 H    2.800100      -3.508200       2.515600    
 H   -2.705700       1.055800      -2.305900    
 H   -1.263100      6.1600000E-02  -2.463700    
 H    5.043200       1.702200      -1.006800    
 H    4.465000      0.3369000      -1.952000    
 H   -1.097200      -2.312100     -0.6186000    
 H   -4.698000      5.7399999E-02 -0.2859000    
 H    2.820300       1.639200      -2.995600    
 H    3.457300       3.078900      -2.145900    
 H   -2.841300       3.107800       2.439500    
 H    1.318500      0.3702000       2.054300    
 H    1.225900       3.380900      -1.053900    
 H    1.108700       3.449900      -2.842200    
 H   -2.462300      -4.355500     -0.6702000    
 H   -6.041200      -2.000600     -0.3390000    
 H   -1.005900       3.366400       4.106700    
 H    1.059000       2.007000       3.915000    
 H   -4.935300      -4.212500     -0.5341000    


%chk=000039822-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039822

0 1
O -2.643677 0.991407 0.535661
O -0.656523 -0.225767 -0.016349
O 2.471891 -3.563842 1.225970
O 3.044233 1.591764 -0.878594
O 0.292655 1.863534 -1.976917
O -1.460053 3.324448 -1.492769
N 3.575625 -0.950722 0.568645
C -2.021122 0.112596 -0.514093
C 2.999083 -1.828831 -0.483318
C 4.092296 -1.754751 1.708593
C 4.619288 -0.019333 0.077866
C 1.928620 -2.752478 0.122560
C 2.989537 -2.665377 2.270153
C -1.905747 0.915349 -1.846722
C -2.851612 -1.147071 -0.684072
C 4.243642 0.801120 -1.158445
C -1.575014 1.384792 1.380530
C -0.395252 0.690575 1.041871
C -1.050499 2.168523 -1.742313
C -2.226199 -2.389987 -0.940678
C -4.264308 -1.062832 -0.636004
C 2.648220 2.421389 -2.019956
C -1.613071 2.310793 2.425381
C 0.818108 0.900770 1.700238
C 1.259147 2.973889 -1.753782
C -3.012795 -3.544903 -1.147447
C -5.046542 -2.219804 -0.842706
C -0.392973 2.529508 3.124320
C 0.793496 1.845939 2.764839
C -4.423620 -3.462860 -1.102930
H 3.789276 -2.451979 -0.975301
H 2.513103 -1.199946 -1.250388
H 4.443176 -1.065439 2.501209
H 4.961639 -2.389250 1.396890
H 4.864474 0.674840 0.904530
H 5.564558 -0.567014 -0.185129
H 1.573594 -3.478487 -0.628334
H 1.074880 -2.144705 0.486271
H 2.160590 -2.048593 2.678497
H 3.385320 -3.323618 3.061252
H -2.925251 1.207458 -2.148135
H -1.480602 0.233896 -2.602348
H 5.102624 1.467451 -1.402482
H 4.068281 0.147812 -2.041661
H -1.133770 -2.450163 -0.955565
H -4.741175 -0.103445 -0.409840
H 2.644075 1.826134 -2.959274
H 3.362732 3.266484 -2.143979
H -2.531496 2.845590 2.680124
H 1.737078 0.389565 1.385264
H 1.162557 3.326935 -0.712092
H 1.015649 3.806024 -2.439799
H -2.525166 -4.507597 -1.336665
H -6.139091 -2.153102 -0.796068
H -0.375156 3.251915 3.947280
H 1.721477 2.052954 3.308553
H -5.031907 -4.360156 -1.262345


