%chk=000099417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099417

0 1
 O   -1.544000      -1.093600      0.8668000    
 O   -1.993300     -0.7717000      -1.392700    
 O    2.086500       1.799300      0.4463000    
 N   -3.562400     -0.2676000      0.2416000    
 N    3.085800     -0.2389000     -8.4200002E-02
 N    4.344400       1.777500     -6.3699998E-02
 C   -5.006300       1.651000     -0.3304000    
 C   -4.615200      0.1975000     -0.6199000    
 C   -3.806700       2.571800     -0.5574000    
 C   -5.531800       1.820800       1.096900    
 C   -2.336000     -0.7159000     -0.2153000    
 C    2.016600      -1.128500      2.6500000E-02
 C  -0.2795000      -1.562400      0.4973000    
 C   0.7553000     -0.6603000      0.3948000    
 C    2.209400      -2.486000     -0.2296000    
 C  -0.1205000      -2.907500      0.2510000    
 C    1.140900      -3.375500     -0.1173000    
 C    3.089500       1.155100      0.1317000    
 C    5.537600       1.020600     -0.4366000    
 C    4.529600       3.214400      9.4099998E-02
 H   -5.803400       1.935600      -1.028100    
 H   -4.317100      8.9199997E-02  -1.668600    
 H   -5.474900     -0.4616000     -0.4556000    
 H   -2.998500       2.382100      0.1568000    
 H   -3.405100       2.447700      -1.568700    
 H   -4.104800       3.620100     -0.4462000    
 H   -5.896600       2.842500       1.249100    
 H   -6.366400       1.138100       1.287600    
 H   -4.757400       1.633000       1.847700    
 H   -3.738400     -0.3156000       1.240500    
 H   0.5192000      0.3698000      0.6138000    
 H    3.186800      -2.865100     -0.5172000    
 H  -0.9520000      -3.599500      0.3392000    
 H    3.959200     -0.6773000     -0.3563000    
 H    1.290800      -4.432600     -0.3164000    
 H    5.373300      0.5449000      -1.408000    
 H    5.736500      0.2586000      0.3227000    
 H    6.405200       1.683300     -0.5076000    
 H    4.887500       3.629800     -0.8524000    
 H    5.269200       3.390400      0.8805000    
 H    3.593300       3.706500      0.3684000    


%chk=000099417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099417

0 1
O -1.361367 -0.264403 0.336037
O -3.046519 -1.711509 -0.557324
O 2.758771 1.893955 0.998583
N -3.524073 0.176310 0.758737
N 3.468129 -0.072251 -0.094880
N 5.037789 1.561991 0.565182
C -5.703425 1.146334 -0.104765
C -4.988422 0.050116 0.734474
C -5.294486 1.077208 -1.593443
C -5.468933 2.560156 0.479438
C -2.695901 -0.706507 0.107819
C 2.225303 -0.729694 -0.305332
C -0.197703 -0.924684 -0.152736
C 0.981672 -0.193626 0.105121
C 2.262846 -1.990920 -0.965570
C -0.188145 -2.178276 -0.806475
C 1.067121 -2.692297 -1.205503
C 3.690639 1.173054 0.520357
C 6.134078 0.754651 0.011481
C 5.370732 2.846176 1.201655
H -6.787949 0.918522 -0.027115
H -5.212770 -0.946904 0.316679
H -5.366050 0.077887 1.776030
H -4.215719 1.288398 -1.713006
H -5.488831 0.075732 -2.017909
H -5.853345 1.822045 -2.189408
H -6.061622 3.314235 -0.069664
H -5.758422 2.614291 1.546460
H -4.405523 2.855793 0.392976
H -3.080835 0.945162 1.262684
H 0.938677 0.770045 0.613717
H 3.222660 -2.414823 -1.287888
H -1.115152 -2.716782 -1.001280
H 4.279958 -0.584906 -0.439673
H 1.105433 -3.661330 -1.715074
H 6.021483 0.584337 -1.079263
H 6.236989 -0.225744 0.521809
H 7.082561 1.295155 0.156904
H 5.856533 3.532295 0.481240
H 6.046464 2.697732 2.066037
H 4.433655 3.303076 1.553985


