%chk=000053339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053339

0 1
 O   -4.479000     -3.5000001E-03  -2.391600    
 O   -5.402500     -5.0000002E-04 -0.2994000    
 N  -0.2718000     -1.8000000E-03 -0.1948000    
 N    3.916300      1.9000000E-03 -0.3631000    
 N   -3.080900     -1.8000000E-03 -0.6280000    
 C    1.148500     -6.9999998E-04 -0.2517000    
 C    1.842200      -1.214700     -0.2791000    
 C    1.839900       1.214600     -0.2802000    
 C    3.245400      -1.165900     -0.3354000    
 C    3.243200       1.168400     -0.3366000    
 C   -1.172400     -1.3000000E-03  0.8784000    
 C    1.173000      -2.450700     -0.2517000    
 C    1.168400       2.449400     -0.2541000    
 C    3.941800      -2.371300     -0.3628000    
 C    3.937400       2.375000     -0.3652000    
 C   -2.557400     -1.9999999E-04  0.6680000    
 C    1.892600      -3.641500     -0.2801000    
 C    1.885800       3.641500     -0.2835000    
 C  -0.6812000     -1.9999999E-04   2.190100    
 C    3.279900      -3.601300     -0.3358000    
 C    3.273200       3.603800     -0.3391000    
 C   -3.436200      1.9000000E-03   1.751300    
 C   -1.560000      1.9000000E-03   3.273300    
 C   -2.937400      3.1000001E-03   3.054000    
 C   -4.414600     -1.6000000E-03  -1.023700    
 C   -5.794100     -4.4000000E-03  -2.959200    
 H  -0.6758000     -9.4099998E-02  -1.118600    
 H   8.8900000E-02  -2.518400     -0.2130000    
 H   8.4200002E-02   2.514900     -0.2158000    
 H    5.029500      -2.366300     -0.4066000    
 H    5.025000       2.372000     -0.4090000    
 H    1.373400      -4.594700     -0.2600000    
 H    1.364900       4.593900     -0.2644000    
 H   0.3863000     -7.9999998E-04   2.394700    
 H    3.851100      -4.524700     -0.3586000    
 H    3.842700       4.528300     -0.3628000    
 H   -4.513400      3.0000000E-03   1.668800    
 H   -1.171900      2.9000000E-03   4.287700    
 H   -3.620500      4.8000002E-03   3.898600    
 H   -2.418400      2.3000001E-03  -1.395300    
 H   -6.336800      0.8965000      -2.657600    
 H   -6.336800     -0.9045000      -2.654900    
 H   -5.693900     -6.0000001E-03  -4.047800    


%chk=000053339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053339

0 1
O -4.162414 -0.036863 -2.452044
O -5.331408 0.357302 -0.444769
N -0.394321 -0.630500 0.091803
N 3.809348 -0.002238 -0.615136
N -2.976767 0.062654 -0.536110
C 0.988727 -0.401515 -0.081366
C 1.851253 -1.520407 -0.344071
C 1.546599 0.921315 -0.084098
C 3.255757 -1.254771 -0.636334
C 2.979856 1.053619 -0.333698
C -1.219175 -0.065198 1.127951
C 1.406871 -2.889754 -0.320050
C 0.770541 2.120371 0.090699
C 4.123111 -2.360302 -0.950019
C 3.569778 2.367028 -0.325731
C -2.580916 0.237935 0.814565
C 2.277048 -3.935911 -0.619913
C 1.374580 3.375240 0.073104
C -0.730911 0.160082 2.434383
C 3.647833 -3.667545 -0.952647
C 2.791610 3.501467 -0.121667
C -3.446989 0.712786 1.831367
C -1.586403 0.665674 3.435613
C -2.944033 0.924154 3.132615
C -4.255712 0.151940 -1.059052
C -5.449487 0.034191 -3.173958
H -0.718194 -1.539929 -0.252643
H 0.378695 -3.136757 -0.026653
H -0.309468 2.050849 0.241548
H 5.165945 -2.119735 -1.178089
H 4.648498 2.423765 -0.500352
H 1.920181 -4.970977 -0.586984
H 0.763907 4.274925 0.205502
H 0.316133 -0.071445 2.655454
H 4.319066 -4.499525 -1.191891
H 3.252470 4.495384 -0.121908
H -4.492318 0.915348 1.588619
H -1.201241 0.837735 4.445827
H -3.617806 1.297613 3.911091
H -2.219091 -0.075136 -1.213320
H -5.916969 1.023191 -3.031827
H -6.138444 -0.747493 -2.811784
H -5.187141 -0.129365 -4.228627


