%chk=000135548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135548

0 1
 O    3.747800      -1.132300       2.323500    
 O    4.005700       2.787500       1.933000    
 O   -3.800300      0.2663000      -1.952200    
 O   -7.333900       1.142200       1.212300    
 O   -5.546200       1.016600       2.604600    
 O   -9.092700      -2.124600     -0.6799000    
 O   -7.363100      -1.070900      -1.702700    
 N    4.593800      0.9964000      0.5315000    
 N    5.756500      4.8200000E-02  -1.799600    
 N    2.120900       2.042500     -0.3901000    
 N    5.816500      -2.156500     -0.8476000    
 N    5.159100      -2.637900       1.357000    
 N   -4.029700      0.3864000      0.3521000    
 N    6.265000      -4.234100      2.9100001E-02
 C    4.518000       1.825300     -0.6975000    
 C    5.648200       1.482200      -1.674100    
 C    3.135200       1.695900      -1.346900    
 C    4.926200     -0.3595000      0.3880000    
 C    5.485300     -0.8220000     -0.7602000    
 C    4.569900      -1.387200       1.448900    
 C    4.314300       1.613100       1.749900    
 C   0.7886000       1.663100     -0.4995000    
 C    5.713900      -2.995900      0.2311000    
 C  -0.1483000       2.041800      0.4772000    
 C   0.3479000      0.8937000      -1.589900    
 C   -5.416200     -1.8200001E-02  0.4038000    
 C   -5.586000      -1.539100      0.5031000    
 C   -1.906800      0.8985000     -0.7220000    
 C   -1.486100       1.662300      0.3668000    
 C  -0.9899000      0.5142000      -1.700300    
 C   -3.301900      0.5041000     -0.8377000    
 C   -7.032000      -2.051500      0.5029000    
 C   -6.074800      0.7456000       1.534100    
 C   -7.804900      -1.696200     -0.7488000    
 H    4.648500       2.877400     -0.4101000    
 H    5.484700       1.941200      -2.654700    
 H    6.598300       1.867100      -1.284700    
 H    3.016000      0.6614000      -1.687600    
 H    3.062600       2.350200      -2.223200    
 H    6.217200     -0.3443000      -2.613400    
 H    2.352600       2.694200      0.3515000    
 H    6.248700      -2.461500      -1.712500    
 H    4.466200      0.9600000       2.617700    
 H   -5.860000      0.3502000     -0.5262000    
 H   0.1629000       2.642800       1.328700    
 H    1.017800      0.5813000      -2.385200    
 H   -5.045400      -2.010400     -0.3283000    
 H   -5.100300      -1.893800       1.421700    
 H   -2.171800       2.009400       1.134200    
 H   -1.297800     -8.1699997E-02  -2.555600    
 H   -3.560000      0.5092000       1.243200    
 H   -7.016900      -3.144300      0.5840000    
 H   -7.570600      -1.650300       1.367800    
 H    6.693600      -4.484800     -0.8551000    
 H    6.255900      -4.938200      0.7590000    
 H   -7.753900       1.650200       1.938800    
 H   -9.602300      -1.880300      -1.481800    


%chk=000135548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135548

0 1
O 5.870653 -0.875898 2.755646
O 3.898785 2.533455 1.960995
O -3.896605 -0.588179 -1.591744
O -7.968758 1.267210 0.960824
O -6.029548 2.051730 1.954173
O -9.453840 -2.223030 -0.995574
O -7.835278 -0.822110 -1.884471
N 4.959673 0.957189 0.609382
N 5.856561 0.184926 -2.000646
N 2.035667 1.560796 -0.098335
N 6.589920 -1.901606 -1.134970
N 6.481681 -2.484365 1.182652
N -4.433221 0.605369 0.319543
N 7.246833 -4.051532 -0.384593
C 4.442316 1.675161 -0.598657
C 5.512298 1.587926 -1.711826
C 3.061286 1.149148 -1.052480
C 5.668755 -0.275401 0.409028
C 6.008925 -0.646195 -0.892775
C 6.012473 -1.194293 1.531867
C 4.674942 1.529840 1.856914
C 0.698360 1.214852 -0.219533
C 6.753111 -2.798483 -0.071988
C -0.235716 1.633447 0.779942
C 0.207117 0.448659 -1.322176
C -5.866723 0.314027 0.203849
C -6.154408 -1.188583 0.549613
C -2.086543 0.541287 -0.424055
C -1.593998 1.303543 0.674647
C -1.155843 0.123999 -1.410006
C -3.516641 0.144342 -0.615266
C -7.615231 -1.670093 0.446750
C -6.583631 1.291544 1.124287
C -8.249597 -1.500514 -0.920143
H 4.324316 2.731413 -0.292371
H 5.147607 2.068841 -2.633715
H 6.419419 2.125806 -1.380335
H 3.090929 0.041826 -1.155050
H 2.845285 1.561814 -2.064796
H 5.552410 -0.222692 -2.887078
H 2.358158 2.095349 0.720287
H 7.064370 -2.049657 -2.028087
H 5.156572 1.020728 2.705813
H -6.209406 0.470382 -0.837312
H 0.123591 2.215399 1.636896
H 0.890549 0.109698 -2.107315
H -5.521284 -1.758250 -0.153461
H -5.785748 -1.388317 1.573286
H -2.260512 1.646454 1.475422
H -1.541808 -0.464068 -2.249750
H -4.161498 1.232992 1.079906
H -7.671074 -2.742146 0.711960
H -8.269233 -1.142244 1.165520
H 7.229971 -4.433811 -1.326759
H 7.404253 -4.675701 0.404156
H -8.381888 1.937123 1.571377
H -9.862754 -2.074106 -1.891369


