%chk=000055041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055041

0 1
 O    3.368500     -0.8943000      0.6718000    
 O    3.752500      0.3585000      -1.327800    
 O   -5.436000      0.2537000     -0.1469000    
 N  -4.8999999E-02 -0.3412000      0.2507000    
 N   -2.155600      -1.268000      0.1121000    
 N   -4.054400      0.1886000     -4.5699999E-02
 N   -3.836600       2.601600     -6.6500001E-02
 N   -4.223200      -2.180700     -2.2399999E-02
 C    2.784700     -9.7400002E-02 -0.3706000    
 C    1.836300      -1.031600      -1.148500    
 C    1.947800       1.073500      0.1880000    
 C   0.6515000      -1.497100     -0.3026000    
 C   0.7685000      0.5859000       1.029200    
 C    4.452600     -0.2559000       1.340500    
 C    4.847300       1.055900     -0.7399000    
 C    5.496600      0.1991000      0.3343000    
 C   -1.391100     -0.2024000      0.1515000    
 C   -1.950900       1.193100      9.0099998E-02
 C   -3.287100       1.345100     -8.2999999E-03
 C   -3.522400      -1.086300      1.1000000E-02
 H    2.389100      -1.911200      -1.502200    
 H    1.469100     -0.5171000      -2.046800    
 H    1.581700       1.686900     -0.6460000    
 H    2.558100       1.741000      0.8049000    
 H  -5.7000001E-03  -2.101600     -0.9389000    
 H   0.9887000      -2.145100      0.5149000    
 H    1.142500      5.7700001E-02   1.915600    
 H   0.2161000       1.444900       1.420300    
 H    4.891000     -0.9813000       2.033300    
 H    4.081300      0.5802000       1.941900    
 H    4.506900       2.016000     -0.3385000    
 H    5.569500       1.274200      -1.533100    
 H    6.308100      0.7406000      0.8300000    
 H    5.923000     -0.6905000     -0.1457000    
 H   -1.286200       2.048100      8.2000002E-02
 H   -4.841800       2.693700     -0.1392000    
 H   -3.245200       3.422500     -3.5599999E-02
 H   -3.582600      -2.980200      3.5500001E-02
 H   -5.703900      0.3058000      0.7868000    


%chk=000055041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055041

0 1
O 3.464351 -0.798149 0.868849
O 3.501534 -0.003143 -1.434771
O -5.320981 0.592111 -0.703812
N -0.051607 -0.232594 0.836775
N -2.057902 -0.977198 -0.135265
N -4.004919 0.438031 -0.307840
N -4.097543 2.617355 0.404074
N -4.113036 -1.728405 -1.088569
C 2.669315 -0.218231 -0.239819
C 1.652956 -1.301042 -0.628246
C 1.962875 1.087508 0.212829
C 0.593818 -1.514355 0.479408
C 0.907584 0.776951 1.308328
C 4.691960 -0.041302 1.187886
C 4.721744 0.791230 -1.176415
C 5.563483 0.130600 -0.069521
C -1.361114 0.055242 0.459283
C -1.976680 1.324206 0.681641
C -3.320715 1.496210 0.285464
C -3.338201 -0.771130 -0.495837
H 2.207297 -2.236877 -0.815644
H 1.162797 -0.992760 -1.568617
H 1.468196 1.531747 -0.670483
H 2.687782 1.826512 0.600627
H -0.187726 -2.208869 0.141254
H 1.085482 -1.925923 1.381599
H 1.428626 0.374213 2.199629
H 0.393051 1.699572 1.614753
H 5.194957 -0.643091 1.961999
H 4.439738 0.950166 1.623656
H 4.455690 1.833833 -0.898402
H 5.249699 0.811012 -2.143033
H 6.451457 0.751003 0.161670
H 5.910283 -0.859719 -0.415088
H -1.460746 2.162397 1.150808
H -5.052801 2.497120 0.040209
H -3.757285 3.476965 0.819035
H -3.734405 -2.650328 -1.275229
H -5.069312 -1.436169 -1.313985


