%chk=000039846.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039846

0 1
 O    5.185300      0.3045000      0.8803000    
 O    2.944300       1.430800      -1.281800    
 O   -1.478300      -2.403600     -0.6909000    
 O   -1.980000       2.353400     -0.4494000    
 O   -3.111600     -0.1745000     -0.5051000    
 N    4.714700     -0.2235000     -0.4077000    
 C    3.332100     -0.6493000     -0.2047000    
 C    3.166400     -0.8053000       1.281400    
 C    4.118500      0.2256000       1.822300    
 C    2.457400      0.4264000     -0.7679000    
 C   0.9772000      0.2666000     -0.6995000    
 C   0.1940000       1.395700     -0.6076000    
 C   0.4469000      -1.004000     -0.7286000    
 C  -0.9385000      -1.153200     -0.6626000    
 C   -1.191200       1.246400     -0.5415000    
 C   -1.757500     -2.8000001E-02 -0.5691000    
 C   -1.095300      -3.298600      0.3514000    
 C   -1.780500       3.198800      0.6818000    
 C   -3.688000     -0.3012000      0.7926000    
 C   -2.239000      -4.250800      0.6289000    
 C   -3.087600       3.881800       1.023500    
 C   -5.189300     -0.4378000      0.6542000    
 H    3.167700      -1.580100     -0.7543000    
 H    2.154900     -0.6647000       1.671200    
 H    3.508700      -1.803600       1.581500    
 H    4.512500     -4.9500000E-02   2.804800    
 H    3.649700       1.213000       1.895800    
 H    5.311100      -1.048700     -0.4696000    
 H   0.6364000       2.387500     -0.5891000    
 H    1.063700      -1.890300     -0.8251000    
 H  -0.8509000      -2.751700       1.270600    
 H  -0.2120000      -3.860900      2.9999999E-02
 H   -1.021700       3.949400      0.4358000    
 H   -1.438500       2.620700       1.549300    
 H   -3.452500      0.5833000       1.394600    
 H   -3.281800      -1.184400       1.297300    
 H   -2.501900      -4.810600     -0.2747000    
 H   -3.135500      -3.701500      0.9338000    
 H   -1.974400      -4.959900       1.418300    
 H   -3.861800       3.142700       1.254300    
 H   -3.450900       4.466700      0.1720000    
 H   -2.968000       4.547300       1.883000    
 H   -5.664800     -0.5374000       1.633900    
 H   -5.609900      0.4350000      0.1441000    
 H   -5.441900      -1.313900      4.7899999E-02


%chk=000039846-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039846

0 1
O 5.559973 0.178228 0.232611
O 2.679584 1.686319 0.545840
O -1.776966 -2.513403 -0.005793
O -2.402414 2.228774 0.240912
O -3.396873 -0.429135 0.039683
N 4.435246 -0.187064 -0.732332
C 3.269887 -0.629114 0.109865
C 3.892148 -1.026180 1.490488
C 5.028352 0.006688 1.610036
C 2.255280 0.518886 0.291621
C 0.788358 0.233270 0.223439
C -0.086464 1.345933 0.294658
C 0.248343 -1.075176 0.105545
C -1.151482 -1.264376 0.078413
C -1.481622 1.168506 0.239392
C -2.041534 -0.145405 0.148269
C -0.915524 -3.705363 -0.126990
C -1.858463 3.605539 0.259430
C -4.385305 0.273868 0.912513
C -1.848488 -4.909945 -0.214527
C -3.053127 4.553266 0.204237
C -5.684850 -0.515920 0.788935
H 2.805684 -1.495466 -0.390820
H 3.173326 -0.959603 2.324873
H 4.289344 -2.055920 1.438701
H 5.873548 -0.343818 2.227200
H 4.647794 0.977340 1.975785
H 4.831679 -1.030048 -1.197482
H 0.372880 2.334535 0.377066
H 0.906772 -1.945144 0.066943
H -0.250631 -3.776705 0.759677
H -0.286144 -3.616061 -1.037003
H -1.190917 3.743846 -0.614441
H -1.266176 3.753990 1.184661
H -4.490783 1.316688 0.572365
H -4.000988 0.272584 1.951446
H -2.516181 -4.819893 -1.087834
H -2.472830 -4.984382 0.691880
H -1.260049 -5.840224 -0.314382
H -3.711311 4.409418 1.078375
H -3.644191 4.383395 -0.711814
H -2.700597 5.600589 0.202985
H -6.472928 -0.043364 1.404231
H -6.026892 -0.534515 -0.260145
H -5.546272 -1.556837 1.126886


