%chk=000102806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102806

0 1
 O    1.702600       3.424700     -0.7615000    
 O    2.758700      -4.683700     -0.3900000    
 O   -2.057700      -1.456200      0.4381000    
 O    1.199500      -3.782600      -1.817700    
 O    3.212000       3.317500      0.9664000    
 O   -1.154200      -2.620200       2.199900    
 N  -3.4800000E-02  -2.401100      0.1793000    
 N    3.146700       1.698400     -0.6954000    
 C    2.690000      -1.154400      0.1041000    
 C    2.238200      -2.235000       1.093400    
 C    3.731200     -0.2255000      0.7376000    
 C    1.151800      -3.148000      0.5143000    
 C    4.213300      0.8616000     -0.2183000    
 C    1.174100       4.639000     -0.2164000    
 C    1.690100      -3.896500     -0.6989000    
 C   0.6349000       4.349600       1.183600    
 C   5.0099999E-02   5.106200      -1.138700    
 C    2.294200       5.677000     -0.1651000    
 C    2.732700       2.857800     -6.4900003E-02
 C   -1.087900      -2.199900       1.049400    
 C   -3.216100      -1.169100       1.229500    
 C    3.326400      -5.419200      -1.479100    
 C   -4.175000     -0.3508000      0.4154000    
 C   -4.096100       1.041700      0.4368000    
 C   -5.144800     -0.9827000     -0.3630000    
 C   -4.987100       1.802400     -0.3202000    
 C   -6.035800     -0.2218000      -1.120100    
 C   -5.956900       1.170700      -1.098600    
 H    3.121900      -1.615600     -0.7916000    
 H    1.825000     -0.5645000     -0.2188000    
 H    3.107000      -2.830100       1.400300    
 H    1.853200      -1.750900       2.000300    
 H    3.299400      0.2428000       1.631000    
 H    4.595000     -0.8141000       1.068900    
 H   0.8739000      -3.902000       1.260700    
 H    4.689600      0.4112000      -1.095700    
 H    4.959000       1.487000      0.2845000    
 H  -0.1041000      -1.991900     -0.7479000    
 H    2.664000       1.422800      -1.545300    
 H  -9.8000001E-03   5.169500       1.522200    
 H    1.402400       4.240900       1.953900    
 H   3.8699999E-02   3.429500       1.191100    
 H  -0.4077000       6.036000     -0.7857000    
 H   0.4248000       5.268700      -2.155900    
 H  -0.7321000       4.342200      -1.215400    
 H    1.877400       6.682100     -2.8700000E-02
 H    2.872100       5.677600      -1.096700    
 H    3.003800       5.541000      0.6549000    
 H   -3.691200      -2.106600       1.544300    
 H   -2.920900     -0.6192000       2.131900    
 H    4.166100      -6.003300      -1.093400    
 H    3.698600      -4.732800      -2.245500    
 H    2.585200      -6.105100      -1.900100    
 H   -3.343300       1.545400       1.037200    
 H   -5.214900      -2.066900     -0.3897000    
 H   -4.925200       2.886600     -0.3042000    
 H   -6.790600     -0.7135000      -1.726800    
 H   -6.650400       1.763100      -1.688300    


%chk=000102806-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102806

0 1
O 1.034738 3.406832 -0.999888
O 3.044961 -4.899581 -0.014220
O -2.266086 -2.405104 -0.396536
O 1.735451 -4.287465 -1.840198
O 2.687364 3.565987 0.707001
O -1.301875 -2.697613 1.746068
N -0.109679 -3.098985 -0.231357
N 2.531395 1.731875 -0.748028
C 2.383485 -1.284705 0.108377
C 1.919217 -2.372988 1.097959
C 3.156426 -0.149902 0.816850
C 1.118147 -3.539833 0.438283
C 3.630778 0.968724 -0.141657
C 0.375907 4.735444 -0.670579
C 1.963566 -4.268486 -0.606834
C -0.161244 4.703470 0.775342
C -0.773423 4.780382 -1.693686
C 1.387329 5.876913 -0.899147
C 2.136203 2.958952 -0.251835
C -1.218933 -2.730730 0.486383
C -3.530349 -1.924221 0.256497
C 3.957128 -5.626892 -0.934466
C -3.544708 -0.418012 0.408494
C -2.952030 0.194410 1.543933
C -4.153580 0.398554 -0.577781
C -2.965792 1.599413 1.684529
C -4.169995 1.804464 -0.437201
C -3.575700 2.407646 0.695577
H 3.033311 -1.731190 -0.673997
H 1.497172 -0.867634 -0.409809
H 2.789885 -2.815850 1.617424
H 1.261689 -1.930605 1.868981
H 2.525612 0.302064 1.606729
H 4.049129 -0.572789 1.322289
H 0.861562 -4.255864 1.242899
H 4.250101 0.533068 -0.950742
H 4.252894 1.693026 0.411910
H -0.147975 -3.142547 -1.253615
H 1.986579 1.341180 -1.516825
H -0.758468 5.614657 0.965482
H 0.666002 4.661912 1.501028
H -0.812677 3.823234 0.919460
H -1.345103 5.718590 -1.575710
H -0.378067 4.735863 -2.723289
H -1.456745 3.926169 -1.543964
H 0.882990 6.851798 -0.766549
H 1.790661 5.833541 -1.926613
H 2.221021 5.807462 -0.182588
H -4.313950 -2.273727 -0.434080
H -3.619125 -2.432501 1.232273
H 4.740328 -6.036659 -0.282490
H 4.378735 -4.932515 -1.680082
H 3.408264 -6.430013 -1.453432
H -2.475689 -0.438525 2.301270
H -4.613554 -0.068624 -1.457465
H -2.507498 2.063751 2.565123
H -4.646940 2.426107 -1.203344
H -3.591843 3.497869 0.809242


