%chk=000041805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041805

0 1
 O   -3.681300       3.847000     -0.9941000    
 O    3.737700      -1.927100     -0.4964000    
 N  -0.2451000      -1.423900      0.7761000    
 C   -2.430100     -0.8078000     -2.7100001E-02
 C   -1.163300      -2.554100      0.9378000    
 C   -2.471900      -1.800400       1.149500    
 C  -0.9392000     -0.3661000      2.8100001E-02
 C   -2.714700      -1.625100      -1.321600    
 C   -1.307000      -3.487700     -0.2782000    
 C   -1.714700      -2.760900      -1.562100    
 C   -3.412400      0.3510000      5.9000000E-02
 C    1.086600      -1.730800      0.2960000    
 C   -3.093100       1.584100     -0.5134000    
 C   -4.636600      0.1848000      0.7102000    
 C    2.006600     -0.5154000      0.4105000    
 C   -3.994100       2.646300     -0.4350000    
 C   -5.537400       1.246800      0.7886000    
 C    3.419300     -0.8211000     -6.5300003E-02
 C   -5.216200       2.477500      0.2159000    
 C    4.446700      0.2601000     -3.4000000E-03
 C    4.076700       1.493300      0.4822000    
 C    5.723600     -1.8800000E-02 -0.4337000    
 C    5.036600       2.503700      0.5403000    
 C    6.683400      0.9916000     -0.3754000    
 C    6.339900       2.252800      0.1117000    
 H  -0.9058000      -3.139900       1.826900    
 H   -3.341900      -2.466900       1.129600    
 H   -2.472600      -1.279300       2.117100    
 H  -0.5427000     -0.2100000     -0.9828000    
 H  -0.8092000      0.5663000      0.5901000    
 H   -2.713800     -0.9673000      -2.200600    
 H   -3.724900      -2.053800      -1.266400    
 H   -2.074600      -4.238000     -4.7400001E-02
 H  -0.3789000      -4.044900     -0.4513000    
 H  -0.8199000      -2.348100      -2.042500    
 H   -2.129900      -3.477400      -2.280500    
 H    1.075000      -2.082900     -0.7420000    
 H    1.510300      -2.544800      0.8982000    
 H   -2.153600       1.725600      -1.040900    
 H   -4.920900     -0.7641000       1.154600    
 H    1.622200      0.3060000     -0.2040000    
 H    2.051400     -0.2027000       1.460600    
 H   -6.490200       1.115000       1.292800    
 H   -5.922500       3.300800      0.2796000    
 H   -2.799700       3.786600      -1.400500    
 H    3.077400       1.733800      0.8258000    
 H    6.011800     -0.9930000     -0.8161000    
 H    4.769900       3.485900      0.9195000    
 H    7.698500      0.7968000     -0.7091000    
 H    7.087400       3.039500      0.1571000    


%chk=000041805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041805

0 1
O -4.260999 3.673890 -1.486183
O 3.835109 -1.911654 -0.682068
N -0.209881 -1.377198 0.549493
C -2.498702 -0.798003 -0.026392
C -1.112373 -2.518567 0.885517
C -2.421160 -1.762289 1.195783
C -1.008097 -0.315020 -0.126534
C -2.864285 -1.671986 -1.277643
C -1.351628 -3.521698 -0.282955
C -1.811637 -2.776188 -1.562697
C -3.501482 0.347703 0.107830
C 1.125079 -1.670158 0.011720
C -3.393064 1.478942 -0.743769
C -4.577117 0.297743 1.029399
C 2.099460 -0.510823 0.297510
C -4.333444 2.530845 -0.665877
C -5.515879 1.354510 1.096898
C 3.532037 -0.801174 -0.150157
C -5.405244 2.478110 0.254241
C 4.583680 0.256144 0.057954
C 4.301350 1.500903 0.683435
C 5.907507 -0.008902 -0.387802
C 5.322445 2.459489 0.858173
C 6.926114 0.948400 -0.214501
C 6.635887 2.186355 0.409619
H -0.715998 -3.055166 1.768441
H -3.292076 -2.438040 1.261271
H -2.326047 -1.199966 2.142027
H -0.700895 -0.186324 -1.192089
H -0.880629 0.664212 0.377804
H -2.971803 -1.022012 -2.168016
H -3.859098 -2.125069 -1.095288
H -2.115346 -4.258423 0.039369
H -0.427805 -4.093781 -0.496326
H -0.926713 -2.314039 -2.042242
H -2.218782 -3.494508 -2.300004
H 1.121816 -1.876248 -1.086802
H 1.509892 -2.585615 0.496353
H -2.568823 1.536499 -1.469168
H -4.681772 -0.561262 1.698823
H 1.747677 0.418258 -0.195538
H 2.086699 -0.296036 1.385379
H -6.342151 1.302848 1.814835
H -6.119563 3.305553 0.292411
H -3.482912 3.619533 -2.094925
H 3.290096 1.724726 1.038785
H 6.105058 -0.974598 -0.865273
H 5.097601 3.415737 1.343104
H 7.943116 0.735615 -0.561708
H 7.427581 2.931731 0.545782


