%chk=000130849.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130849

0 1
 O   -5.757800      -1.628300      0.7770000    
 O   -3.234900      0.5951000     -0.5389000    
 N    3.279700      0.1592000      -1.159700    
 N    7.150200     -0.2568000      0.3944000    
 N   -8.520200     -0.9885000      8.8000000E-02
 N   -1.755800      0.3343000       1.273400    
 N   -5.398600      0.6241000       1.059000    
 N   -9.860400       1.701400      -1.761700    
 C    4.592300      1.8200001E-02 -0.6327000    
 C    5.142800      -1.257800     -0.4757000    
 C    5.322000       1.156600     -0.2756000    
 C    6.443000      -1.350000      4.8999999E-02
 C    6.615300      0.9699000      0.2411000    
 C    2.018800      0.2030000     -0.5506000    
 C    4.432000      -2.419000     -0.8260000    
 C    4.793500       2.451000     -0.4226000    
 C    6.996500      -2.617700      0.2078000    
 C    7.346800       2.099500      0.5984000    
 C   -7.457600     -0.1603000      2.2500001E-02
 C    5.008000      -3.674600     -0.6575000    
 C    5.545500       3.563800     -5.7700001E-02
 C   0.8639000      0.3538000      -1.326500    
 C    1.901600      9.6100003E-02  0.8399000    
 C  -0.5002000      0.2904000      0.6666000    
 C    6.293000      -3.773700     -0.1394000    
 C    6.824700       3.387200      0.4537000    
 C  -0.3914000      0.3980000     -0.7197000    
 C   0.6462000      0.1389000       1.446500    
 C   -7.773200      0.9622000     -0.6663000    
 C   -9.565000     -0.3983000     -0.5742000    
 C   -9.128000      0.8168000      -1.053800    
 C   -6.155200     -0.4712000      0.6284000    
 C   -4.122700      0.4774000       1.696100    
 C   -8.583200      -2.280600      0.7350000    
 C   -3.011700      0.4800000      0.6619000    
 H    3.270700      0.2450000      -2.171800    
 H    3.427200      -2.377300      -1.238200    
 H    3.798500       2.625200     -0.8238000    
 H    8.001900      -2.721800      0.6116000    
 H    8.351700       1.987400       1.001600    
 H    4.457600      -4.569800     -0.9299000    
 H    5.135700       4.562500     -0.1732000    
 H   0.9342000      0.4385000      -2.408300    
 H    2.777500     -2.2100000E-02   1.472600    
 H    6.752000      -4.748600     -4.1000000E-03
 H    7.420100       4.248800      0.7412000    
 H   -1.231300      0.5171000      -1.389600    
 H   0.5763000      5.3800002E-02   2.528000    
 H   -7.126700       1.800700     -0.8876000    
 H   -10.52750     -0.8873000     -0.6508000    
 H   -3.985900       1.324700       2.375100    
 H   -4.088700     -0.4554000       2.267900    
 H   -1.749700      0.2499000       2.287900    
 H   -5.757800       1.565800      0.9361000    
 H   -9.619800      -2.628100      0.7503000    
 H   -7.969400      -2.983100      0.1662000    
 H   -8.222500      -2.179800       1.761700    
 H   -10.83180       1.535200      -2.007600    
 H   -9.481900       2.584900      -2.089700    


%chk=000130849-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130849

0 1
O -6.678155 -1.268218 2.137490
O -3.170469 0.521736 -0.774995
N 3.486494 1.004520 -0.908335
N 7.374522 -0.323878 0.391407
N -9.114086 -0.582433 0.633954
N -1.748933 -0.338931 0.889344
N -5.401900 -0.317328 0.455964
N -9.807463 0.850735 -2.640449
C 4.739107 0.537446 -0.452542
C 5.047322 -0.859854 -0.347039
C 5.765059 1.497684 -0.157922
C 6.381807 -1.230182 0.119093
C 7.081992 1.005495 0.231929
C 2.191471 0.633751 -0.460775
C 4.143206 -1.910031 -0.734877
C 5.551801 2.919989 -0.205215
C 6.706221 -2.625774 0.264690
C 8.132636 1.955582 0.487630
C -7.808866 -0.348577 0.186576
C 4.503166 -3.249125 -0.605269
C 6.591158 3.810977 0.055984
C 1.061417 1.019175 -1.231101
C 1.976816 -0.065469 0.757985
C -0.455649 0.010430 0.397771
C 5.789924 -3.613439 -0.080243
C 7.899836 3.323934 0.391517
C -0.249303 0.722701 -0.813128
C 0.670612 -0.375709 1.171565
C -7.895197 0.223921 -1.109529
C -10.011786 -0.167574 -0.351022
C -9.279540 0.338699 -1.450456
C -6.625536 -0.679238 0.996807
C -4.168231 -0.609566 1.164512
C -9.526556 -1.164699 1.922289
C -2.988678 -0.085140 0.326185
H 3.516564 1.838039 -1.498937
H 3.164344 -1.652564 -1.147549
H 4.551208 3.316827 -0.412596
H 7.707015 -2.863460 0.637908
H 9.110571 1.549351 0.763312
H 3.803481 -4.033213 -0.914581
H 6.407872 4.890477 0.023025
H 1.209398 1.553291 -2.177739
H 2.826666 -0.355882 1.381701
H 6.051356 -4.671871 0.027377
H 8.707699 4.036960 0.588972
H -1.110521 1.023682 -1.411761
H 0.527320 -0.916472 2.116131
H -7.056547 0.513095 -1.743450
H -11.086757 -0.258109 -0.207083
H -4.167596 -0.135821 2.168741
H -4.063911 -1.700482 1.341223
H -1.754809 -0.843734 1.780060
H -5.298830 0.185797 -0.430636
H -10.628621 -1.159510 1.965975
H -9.152343 -2.195773 2.024392
H -9.116822 -0.582686 2.762678
H -10.808113 0.875599 -2.800525
H -9.192546 1.191150 -3.370733


